SCHEMBL6895029

SCHEMBL6895029

Cc1ccc(S(=O)(=O)O)cc1.NC1(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

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 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.48
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL4615932 0.95 LMNA (0.49) LMNAMAPTCA1CA2CYP1A2
SCHEMBL6688943 0.95 LMNA (0.49) LMNAMAPTCA1CA2CYP1A2
SCHEMBL1486219 0.94 LMNA (0.48) LMNAMAPTCA1CA2
SCHEMBL21331281 0.87 LMNA (0.46) LMNAMAPTCA1CA2CYP1A2
SCHEMBL2542693 0.83 DDB1 (0.54) LMNACA1CA2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2805409 0.81 DDB1 (0.52) LMNACA1CA2CYP1A2CYP2C9
SCHEMBL2546 0.80 LMNA (0.53) LMNAMAPTCA1CA2CYP1A2
SCHEMBL57630 0.80 LMNA (0.62) LMNAMAPTCA1CA2CYP1A2
SCHEMBL1670578 0.79 LMNA (0.54) LMNAMAPTCA1CA2CYP1A2
SCHEMBL717926 0.79 LMNA (0.68) LMNAMAPTCA1CA2CYP1A2

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-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
EP-0333000-B1 PEPTIDES WITH INHIBITORY ACTIVITY OF ENZYMATIC SYSTEMS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.p.A. (IT) 1993-05-19 EP disclosed
US-5145872-A PEPTIDES WITH PHARMACEUTICAL ACTIVITY ZAMBON GROUP, S.P.A. (IT) 1992-09-08 US disclosed
EP-0333000-A2 Peptides with inhibitory activity of enzymatic systems, process for their preparation and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1989-09-20 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 LMNA 4204/4885MAPT 2496/4885CA1 3966/4885

“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.