SCHEMBL122048

SCHEMBL122048

C[C@@]12C(=CC(=O)C=C1OC(=O)CCC(=O)[O-])CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.[Na+]

nearest known ligand 0.63

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
NR3C1 known ✓ P04150 5/20 0.60
PDE4D known ✓ Q08499 1/20 0.46
HIF1A Q16665 14/20 0.63
LMNA P02545 2/20 0.63
HSD17B10 Q99714 5/20 0.60
PGR P06401 5/20 0.60
CYP3A4 P08684 5/20 0.60
CYP2C19 P33261 3/20 0.60
SERPINA6 P08185 3/20 0.60
NR3C2 P08235 2/20 0.60
AR P10275 2/20 0.60
ABCB11 O95342 2/20 0.60
TNF P01375 1/20 0.60
IL6 P05231 1/20 0.60
GLUL P15104 1/20 0.60
ADAM17 P78536 1/20 0.60
GPBAR1 Q8TDU6 1/20 0.60
NFKB1 P19838 2/20 0.59
PMP22 Q01453 1/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL945988 0.95 HIF1A (0.65) HIF1ALMNAHSD17B10NR3C1PGR
SCHEMBL264554 0.94 HIF1A (0.64) HIF1ALMNAHSD17B10NR3C1PGR
SCHEMBL27748218 0.92 HIF1A (0.61) HIF1ALMNAHSD17B10NR3C1PGR
SCHEMBL7095395 0.92 HIF1A (0.61) HIF1ALMNAHSD17B10NR3C1PGR
SCHEMBL704875 0.91 HIF1A (0.61) HIF1ALMNAHSD17B10NR3C1PGR
SCHEMBL11068491 0.91 HIF1A (0.62) HIF1ALMNAHSD17B10NR3C1PGR
SCHEMBL27781029 0.91 HIF1A (0.66) HIF1ALMNAHSD17B10NR3C1PGR
SCHEMBL677626 0.91 HIF1A (0.61) HIF1ALMNAHSD17B10NR3C1PGR
SCHEMBL22042713 0.90 HIF1A (0.59) HIF1ALMNAHSD17B10NR3C1PGR
SCHEMBL35449 0.90 HIF1A (0.64) HIF1ALMNAHSD17B10NR3C1PGR

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 1915 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4580674-A2 ANTIGEN BINDING MOLECULES TARGETING PROGRAMMED CELL DEATH PROTEIN 1 (PD-1) Flagship Pioneering Innovations VI, LLC (US) 2025-07-09 EP claimed
EP-4567037-A1 USE OF PYRROLOPYRIMIDINE COMPOUND IN TREATMENT OF ACUTE GRAFT VERSUS HOST DISEASE Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2025-06-11 EP claimed
CN-119585277-A Use of pyrrolopyrimidine compounds for the treatment of acute graft versus host disease 正大天晴药业集团股份有限公司 2025-03-07 CN claimed
CN-118501322-B Method for detecting prednisolone sodium succinate related substances for injection 成都启晟合研医药科技有限公司 2024-09-24 CN claimed
EP-4431097-A1 USE OF QUINOLINONE DERIVATIVE IN TREATMENT OF IMMUNE THROMBOCYTOPENIA Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2024-09-18 EP claimed
US-20240285635-A1 USE OF PYRROLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATING CHRONIC GRAFT VERSUS HOST DISEASE CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-08-29 US claimed
CN-118501322-A Method for detecting prednisolone sodium succinate related substances for injection 成都启晟合研医药科技有限公司 2024-08-16 CN claimed
CN-118159269-A Application of quinolinone derivative in treatment of immune thrombocytopenia 正大天晴药业集团股份有限公司 2024-06-07 CN claimed
EP-4361152-A1 USE OF PYRROLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATING CHRONIC GRAFT VERSUS HOST DISEASE CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-05-01 EP claimed
WO-2024050421-A2 ANTIGEN BINDING MOLECULES TARGETING PROGRAMMED CELL DEATH PROTEIN 1 (PD-1) FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2024-03-07 WO claimed
US-5811547-A Method for inducing crystalline state transition in medicinal substance NIPPON SHINYAJU CO., LTD. (JP) 1998-09-22 US claimed
WO-1997041144-A1 NOVEL STEROID NITRITE AND NITRATE ESTER DERIVATIVES USEFUL AS ANTI-INFLAMMATORY DRUGS G.D. SEARLE & CO. (US) 1997-11-06 WO claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP claimed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP claimed
WO-1997015298-A1 COMBINATION OF LTD, RECEPTOR ANTAGONISTS WITH GLUCOCORTICOSTEROIDS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-01 WO claimed
US-5543417-A 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent MERCK & CO., INC. (US) 1996-08-06 US claimed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
EP-0496520-A1 Novel bone acting agents MERCK & CO. INC. (US) 1992-07-29 EP claimed
US-4304765-A Ocular insert housing steroid in two different therapeutic forms ALZA CORPORATION (US) 1981-12-08 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20240285635-A1 USE OF PYRROLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATING CHRONIC GRAFT VERSUS HOST DISEASE TPMT, PTPN5, FKBP5 NR3C1 600/4885PDE4D 473/4885HIF1A 3090/4885

“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.