SCHEMBL6895557

SCHEMBL6895557

Cc1ccc(S(=O)(=O)O)cc1.N[C@@H](Cc1ccc(Cl)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

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 20)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 1/20 0.40
ERBB2 known ✓ P04626 1/20 0.40
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL2590490 0.93 LMNA (0.52) ALDH1A1GAAMAPTLMNACYP1A2
SCHEMBL5221398 0.93 LMNA (0.52) ALDH1A1GAAMAPTLMNACYP1A2
SCHEMBL718199 0.93 LMNA (0.52) ALDH1A1GAAMAPTLMNACYP1A2
SCHEMBL12615481 0.91 MAPT (0.48) ALDH1A1GAAMAPTLMNACYP1A2
SCHEMBL716533 0.91 MAPT (0.48) ALDH1A1GAAMAPTLMNACYP1A2
SCHEMBL5115273 0.91 MAPT (0.48) ALDH1A1GAAMAPTLMNACYP1A2
SCHEMBL8813869 0.89 P2RX7 (0.47) GAAMAPTLMNAPPARGPPARA
SCHEMBL8813866 0.89 P2RX7 (0.47) GAAMAPTLMNAPPARGPPARA
SCHEMBL27403149 0.88 MMP1 (0.46) ALDH1A1MAPTLMNATP53RAB9A
SCHEMBL7302285 0.88 LTA4H (0.56) MAPTLMNAPPARGPPARAP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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 (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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH EGFR 921/4885ERBB2 2827/4885ALDH1A1 1309/4885

“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.