SCHEMBL29435294

SCHEMBL29435294

Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)O)c2cccc(O)c12.[Na+]

nearest known ligand 0.57

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 known ✓ Q9H244 1/20 0.43
▸ THRB known ✓ P10828 3/20 0.42
▸ NR4A1 P22736 1/20 0.57
▸ AURKA O14965 1/20 0.56
▸ AURKB Q96GD4 1/20 0.56
▸ CYP1A2 P05177 2/20 0.44
▸ HSPD1 P10809 2/20 0.44
▸ HSPE1 P61604 2/20 0.44
▸ TST Q16762 2/20 0.44
▸ ALB P02768 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ RECQL P46063 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1459623 1.00 NR4A1 (0.57) NR4A1AURKAAURKBCYP1A2HSPD1
SCHEMBL30683823 0.94 NR4A1 (0.57) NR4A1AURKAAURKBCYP1A2HSPD1
SCHEMBL8508834 0.93 NR4A1 (0.61) NR4A1AURKAAURKBCYP1A2HSPD1
SCHEMBL16446112 0.93 NR4A1 (0.61) NR4A1AURKAAURKBCYP1A2HSPD1
SCHEMBL31709341 0.93 NR4A1 (0.61) NR4A1AURKAAURKBCYP1A2HSPD1
SCHEMBL29664225 0.93 NR4A1 (0.61) NR4A1AURKAAURKBCYP1A2HSPD1
Water SCHEMBL12275144 0.91 NR4A1 (0.60) NR4A1AURKAAURKBCYP1A2HSPD1
Lithium Ion SCHEMBL155096 0.90 NR4A1 (0.61) NR4A1AURKAAURKBCYP1A2HSPD1
SCHEMBL156055 0.90 AURKB (0.64) NR4A1AURKAAURKBCYP1A2KDM4E
SCHEMBL29608931 0.90 AURKB (0.64) NR4A1AURKAAURKBCYP1A2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382329-A1 INTERMEDIATE USED FOR FAPI SYNTHESIS, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF YANTAI LANNACHENG BIOTECHNOLOGY CO LTD (CN) 2025-12-18 — — US claimed
US-20250332299-A1 COMPOUND TARGETING SSTR2, PREPARATION METHOD THEREFOR AND USE THEREOF YANTAI LANNACHENG BIOTECHNOLOGY CO LTD (CN) 2025-10-30 — — US claimed
EP-4613758-A1 COMPOUNDS TARGETING SSTR2, PREPARATION METHOD THEREFOR, AND USE THEREOF Yantai Lannacheng Biotechnology Co., Ltd. (CN) 2025-09-10 — — EP claimed
EP-4585607-A1 INTERMEDIATE USED FOR FAPI SYNTHESIS, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Yantai Lannacheng Biotechnology Co., Ltd. (CN) 2025-07-16 — — EP claimed
WO-2024169973-A1 INTERMEDIATE USED FOR FAPI SYNTHESIS, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 烟台蓝纳成生物技术有限公司 2024-08-22 — — WO claimed
WO-2024120415-A1 COMPOUNDS TARGETING SSTR2, PREPARATION METHOD THEREFOR, AND USE THEREOF 烟台蓝纳成生物技术有限公司 2024-06-13 — — WO claimed
CN-115838393-B Intermediate for FAPI synthesis and preparation method and application thereof 烟台蓝纳成生物技术有限公司 2023-05-05 — — CN claimed
CN-115838393-A Intermediate for FAPI synthesis and preparation method and application thereof 烟台蓝纳成生物技术有限公司 2023-03-24 — — CN claimed
CN-115583989-B SSTR 2-targeted compound and preparation method and application thereof 烟台蓝纳成生物技术有限公司 2023-02-28 — — CN claimed
CN-113429417-B Method for preparing camptothecin and evans blue coupled amphiphilic compound 烟台蓝纳成生物技术有限公司 2023-02-03 — — CN claimed
CN-115583989-A SSTR 2-targeted compound and preparation method and application thereof 烟台蓝纳成生物技术有限公司 2023-01-10 — — CN claimed
CN-115161324-A Evans blue modified EpCAM-targeted nucleic acid aptamer and preparation method and application thereof 中国人民解放军空军军医大学 2022-10-11 — — CN claimed
WO-2022170732-A1 TRUNCATED EVANS BLUE MODIFIED FIBROBLAST ACTIVATION PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海蓝纳成生物技术有限公司 2022-08-18 — — WO claimed
EP-3755321-B1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS FOR TARGETING PROSTATE CANCER US HEALTH (US) 2026-04-08 — — EP disclosed
US-20250382329-A1 INTERMEDIATE USED FOR FAPI SYNTHESIS, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF YANTAI LANNACHENG BIOTECHNOLOGY CO LTD (CN) 2025-12-18 — — US disclosed
US-20250332299-A1 COMPOUND TARGETING SSTR2, PREPARATION METHOD THEREFOR AND USE THEREOF YANTAI LANNACHENG BIOTECHNOLOGY CO LTD (CN) 2025-10-30 — — US disclosed
CN-109153641-B Chemical conjugates of evans blue derivatives and their use as radiotherapeutic and imaging agents 美国政府健康及人类服务部 2022-10-18 — — CN disclosed
CN-115161324-A Evans blue modified EpCAM-targeted nucleic acid aptamer and preparation method and application thereof 中国人民解放军空军军医大学 2022-10-11 — — CN disclosed
WO-2022170732-A1 TRUNCATED EVANS BLUE MODIFIED FIBROBLAST ACTIVATION PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海蓝纳成生物技术有限公司 2022-08-18 — — WO disclosed
CN-113476404-B Self-assembled nano-vesicle medicine and preparation method and application thereof 上海蓝纳成生物技术有限公司 2022-03-25 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250332299-A1 COMPOUND TARGETING SSTR2, PREPARATION METHOD THEREFOR AND USE THEREOF SSTR2, SSTR5, SSTR3 P2RY12 2312/4885THRB 246/4885NR4A1 2528/4885
US-20250382329-A1 INTERMEDIATE USED FOR FAPI SYNTHESIS, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF FAP, ALPI, HADHB P2RY12 3401/4885THRB 4732/4885NR4A1 4625/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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