SCHEMBL6893685

SCHEMBL6893685

Cc1ccc(S(=O)(=O)O)cc1.N[C@@H](CC1CCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.45

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
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.45
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
FKBP1A P62942 2/20 0.42
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
ATM Q13315 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
IDO1 P14902 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPN P05981 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40

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
SCHEMBL6479809 0.85 IDO1 (0.52) CTSSCTSLCTSBCTSKATM
Hydrochloric Acid SCHEMBL7297833 0.84 IDO1 (0.51) CTSSCTSLCTSBCTSKATM
Hydrochloric Acid SCHEMBL3825774 0.84 IDO1 (0.51) CTSSCTSLCTSBCTSKATM
SCHEMBL6473457 0.84 IDO1 (0.53) CTSSCTSLCTSBCTSKMETAP2
Hydrochloric Acid SCHEMBL3823025 0.83 IDO1 (0.52) CTSSCTSLCTSBCTSKMETAP2
SCHEMBL9443648 0.82 LMNA (0.52) MAPTLMNACA1CA2IDO1
SCHEMBL718199 0.82 LMNA (0.52) MAPTLMNACA1CA2
SCHEMBL5221398 0.82 LMNA (0.52) MAPTLMNACA1CA2
SCHEMBL4511022 0.82 LMNA (0.52) MAPTLMNACA1CA2L3MBTL1
SCHEMBL2590490 0.82 LMNA (0.52) MAPTLMNACA1CA2

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 5 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-0454302-A2 Tuftsin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-30 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 MAPT 2496/4885LMNA 4204/4885CA1 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.