SCHEMBL1628170

SCHEMBL1628170

CCc1nc2c(C)c(OC)ccc2n1-c1ccc(CCN(C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.43

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 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.43
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
TAS2R14 Q9NYV8 3/20 0.35
CNR2 P34972 5/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER1 P34995 2/20 0.34
CNR1 P21554 1/20 0.33
BMP1 P13497 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 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
SCHEMBL1625304 0.97 PTGER4 (0.45) PTGER4TP53ALDH1A1GAATAS2R14
SCHEMBL1625541 0.82 PTGER4 (0.43) PTGER4TP53ALDH1A1GAATAS2R14
SCHEMBL1626001 0.80 PTGER4 (0.65) PTGER4TP53TAS2R14CNR2MAPT
SCHEMBL1627569 0.79 PTGER4 (0.41) PTGER4TP53ALDH1A1GAACNR2
SCHEMBL1625545 0.78 PTGER4 (0.47) PTGER4ALDH1A1TAS2R14CNR2CNR1
SCHEMBL1624692 0.78 NTRK1 (0.55) PTGER4TAS2R14CNR2MEN1MAPT
SCHEMBL7618745 0.78 PTGER4 (0.54) PTGER4TAS2R14CNR2MAPTSMN1; SMN2
SCHEMBL1625985 0.78 PTGER4 (0.40) PTGER4TP53TAS2R14CNR2MAPT
SCHEMBL1625211 0.77 PTGER4 (0.44) PTGER4TP53ALDH1A1GAACNR2
SCHEMBL1625994 0.76 PTGER4 (0.47) PTGER4TP53TAS2R14CNR2MEN1

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 4291/4885ALDH1A1 1858/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 PTGER4 55/4885TP53 4398/4885ALDH1A1 632/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 PTGER4 1/4885TP53 4239/4885ALDH1A1 1286/4885

“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.