SCHEMBL6897546

SCHEMBL6897546

COc1ccc(C[C@H](N)C(=O)OCc2ccccc2)cc1.Cc1ccc(S(=O)(=O)O)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 20)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 1/20 0.43
MMP1 P03956 3/20 0.46
MAPT P10636 2/20 0.46
MMP13 P45452 2/20 0.46
MMP9 P14780 2/20 0.46
LMNA P02545 3/20 0.46
LTA4H P09960 2/20 0.45
LAP3 P28838 1/20 0.45
MMP2 P08253 2/20 0.44
MMP3 P08254 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RX7 Q99572 4/20 0.44
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL27403149 1.00 MMP1 (0.46) MMP1MAPTMMP13MMP9LMNA
SCHEMBL2590490 0.92 LMNA (0.52) MAPTLMNALTA4HLAP3ALDH1A1
SCHEMBL718199 0.92 LMNA (0.52) MAPTLMNALTA4HLAP3ALDH1A1
SCHEMBL5221398 0.92 LMNA (0.52) MAPTLMNALTA4HLAP3ALDH1A1
SCHEMBL7302285 0.92 LTA4H (0.56) MAPTLMNALTA4HLAP3P2RX7
SCHEMBL12615481 0.90 MAPT (0.48) MAPTLMNALTA4HLAP3ALDH1A1
SCHEMBL716533 0.90 MAPT (0.48) MAPTLMNALTA4HLAP3ALDH1A1
SCHEMBL5115273 0.90 MAPT (0.48) MAPTLMNALTA4HLAP3ALDH1A1
SCHEMBL7709765 0.90 MAPT (0.44) MAPTLMNALTA4HLAP3P2RX7
SCHEMBL8813866 0.88 P2RX7 (0.47) MAPTLMNALTA4HLAP3P2RX7

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 921/4885MMP1 3883/4885MAPT 2496/4885

“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.