SCHEMBL1625985

SCHEMBL1625985

CCc1nc2cc(C(=O)C(F)(F)F)ccc2n1-c1ccc(CCN(C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
TP53 P04637 3/20 0.38
MAPT P10636 1/20 0.38
PTPN1 P18031 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.35
POLB P06746 1/20 0.34
RORC P51449 3/20 0.34
CRBN Q96SW2 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL1627539 0.97 PTGER4 (0.42) PTGER4TP53MAPTPTPN1SIRT2
SCHEMBL1624296 0.87 PTGER4 (0.44) PTGER4TP53MAPTSIRT2SIRT1
SCHEMBL1626075 0.85 TP53 (0.44) PTGER4TP53MAPTSIRT2SIRT1
SCHEMBL1627569 0.85 PTGER4 (0.41) PTGER4TP53MAPTNTRK1NTRK2
SCHEMBL6710720 0.84 PTGER4 (0.39) PTGER4MAPTPTPN1NTRK1NTRK2
SCHEMBL1625211 0.83 PTGER4 (0.44) PTGER4TP53MAPTNTRK1NTRK2
SCHEMBL6899188 0.83 TP53 (0.47) PTGER4TP53MAPTSIRT2SIRT1
SCHEMBL6714655 0.82 PTGER4 (0.38) PTGER4NTRK1NTRK2TRPM8CNR2
SCHEMBL1626033 0.82 PTGER4 (0.45) PTGER4TP53MAPTSIRT2SIRT1
SCHEMBL1625541 0.82 PTGER4 (0.43) PTGER4TP53MAPTNTRK1NTRK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928119-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2011-04-19 US disclosed
US-7148234-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2006-12-12 US disclosed
US-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US disclosed
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US disclosed
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 US 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 (3 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-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 PTGER4 1/4885TP53 4291/4885MAPT 4402/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 PTGER4 55/4885TP53 4398/4885MAPT 3288/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 PTGER4 1/4885TP53 4239/4885MAPT 4854/4885

“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.