SCHEMBL29502819

SCHEMBL29502819

Nc1c(S(=O)(=O)[O-])cc(Nc2cccc3ccccc23)c2c1C(=O)c1ccccc1C2=O.[Na+]

nearest known ligand 0.84

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 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 known ✓ P51582 7/20 0.71
▸ P2RY2 known ✓ P41231 6/20 0.71
▸ P2RY12 known ✓ Q9H244 5/20 0.71
▸ P2RY1 known ✓ P47900 1/20 0.69
▸ P2RY6 known ✓ Q15077 1/20 0.69
▸ ENTPD1 P49961 2/20 0.78
▸ ENTPD2 Q9Y5L3 1/20 0.78
▸ CDK2 P24941 1/20 0.69

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
SCHEMBL792522 1.00 ENTPD1 (0.78) ENTPD1ENTPD2P2RY4P2RY2P2RY12
SCHEMBL31268442 0.87 ENTPD1 (1.00) ENTPD1ENTPD2P2RY4P2RY2P2RY12
SCHEMBL29354313 0.87 GNG2 (0.66) ENTPD1ENTPD2P2RY4P2RY2P2RY12
SCHEMBL13214120 0.87 GNG2 (0.66) ENTPD1ENTPD2P2RY4P2RY2P2RY12
SCHEMBL3032350 0.87 P2RY4 (0.80) P2RY4P2RY2P2RY12CDK2P2RY1
SCHEMBL792523 0.86 GNG2 (0.65) ENTPD1ENTPD2P2RY4P2RY2P2RY12
SCHEMBL3033638 0.85 P2RY12 (0.80) P2RY4P2RY2P2RY12CDK2P2RY1
SCHEMBL3022506 0.83 P2RY12 (1.00) ENTPD1P2RY4P2RY2P2RY12CDK2
SCHEMBL3025505 0.83 P2RY12 (1.00) P2RY4P2RY2P2RY12CDK2P2RY1
SCHEMBL3032357 0.82 P2RY12 (0.77) ENTPD1ENTPD2P2RY4P2RY2P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024259358-A2 MODULATION OF FUSOBACTERIUM NUCLEATUM SUBSPECIES ANIMALIS CLADE 2 MICROBES FRED HUTCHINSON CANCER CENTER (US) 2024-12-19 — — WO claimed
US-20230346879-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-11-02 — — US claimed
EP-2943564-B1 SL327 FOR USE IN SKIN REGENERATION INT STEM CELL CORPORATION (US) 2026-03-25 — — EP disclosed
EP-4698901-A1 MARKERS FOR PREDICTING THERAPEUTIC EFFICACY OF A T CELL Charité - Universitätsmedizin Berlin (DE) 2026-02-25 — — EP disclosed
EP-3908601-B1 COMPOSITIONS FOR TREATING CANCER OMEROS CORP (US) 2025-12-24 — — EP disclosed
WO-2024259358-A2 MODULATION OF FUSOBACTERIUM NUCLEATUM SUBSPECIES ANIMALIS CLADE 2 MICROBES FRED HUTCHINSON CANCER CENTER (US) 2024-12-19 — — WO disclosed
WO-2024218318-A1 MARKERS FOR PREDICTING THERAPEUTIC EFFICACY OF A T CELL CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-10-24 — — WO disclosed
US-20240307537-A1 Methods and Compositions for Treating Cancer OMEROS CORPORATION 2024-09-19 — — US disclosed
EP-4412711-A1 SERUM HALF-LIFE EXTENDED PD-L1 BINDING POLYPEPTIDES Avacta Life Sciences Limited (GB) 2024-08-14 — — EP disclosed
EP-4413038-A1 PD-L1 BINDING AFFIMERS Avacta Life Sciences Limited (GB) 2024-08-14 — — EP disclosed
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF TUFTS COLLEGE 2024-06-27 — — US disclosed
EP-4126053-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2023-02-08 — — EP disclosed
CN-115697413-A Radiopharmaceuticals and imaging agents targeting FAP and uses related thereto 塔夫茨大学信托人 2023-02-03 — — CN disclosed
US-20220370647-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2022-11-24 — — US disclosed
WO-2022234003-A1 CD33 BINDING POLYPEPTIDES WITH STEFIN A PROTEIN AVACTA LIFE SCIENCES LIMITED (GB) 2022-11-10 — — WO disclosed
WO-2022204368-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF TUFTS COLLEGE (US) 2022-09-29 — — WO disclosed
US-20220244263-A1 METHODS FOR TREATING SMALL CELL NEUROENDOCRINE AND RELATED CANCERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-08-04 — — US disclosed
US-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2022-07-07 — — US disclosed
WO-2022133288-A1 FAP-ACTIVATED RADIOTHERANOSTICS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2022-06-23 — — WO disclosed
WO-2022050230-A1 COMPOSITION INHIBITING ACTIVATION OF ADENOSINE RECEPTOR 学校法人埼玉医科大学 2022-03-10 — — WO 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 (5 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-20240307537-A1 Methods and Compositions for Treating Cancer LPAR5, LPAR3, LPAR1 P2RY4 712/4885P2RY2 565/4885P2RY12 1463/4885
US-20230346879-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS RAB5IF, CLTB, TBK1 P2RY4 3163/4885P2RY2 2965/4885P2RY12 2756/4885
US-20220370647-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO FAP, APC, FIBP P2RY4 819/4885P2RY2 1211/4885P2RY12 1029/4885
US-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO FAP, FIBP, FGFR1 P2RY4 1096/4885P2RY2 1345/4885P2RY12 1446/4885
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS BCL6B, BCL6, BTD P2RY4 3579/4885P2RY2 3280/4885P2RY12 3052/4885

“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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