SCHEMBL6897944

SCHEMBL6897944

COc1ccc(C[C@H](NC(=O)N(CCO)CCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
FPR2 P25090 1/20 0.56
LPAR1 Q92633 3/20 0.55
LPAR5 Q9H1C0 1/20 0.49
MMP3 P08254 1/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
ALOX5 P09917 2/20 0.48
PPARG P37231 1/20 0.47
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CA2 P00918 1/20 0.46
ADORA2A P29274 1/20 0.46

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
SCHEMBL6891317 0.90 LPAR1 (0.53) LPAR1MMEACE
SCHEMBL27538262 0.90 LPAR1 (0.53) LPAR1MMEACE
SCHEMBL6895388 0.90 LPAR1 (0.53) LPAR1MMEACE
SCHEMBL7681540 0.89 LPAR1 (0.48) KMT2AFPR2LPAR1PPARGMME
SCHEMBL6896980 0.89 LPAR1 (0.48) KMT2AFPR2LPAR1PPARGMME
SCHEMBL27559954 0.88 PPARG (0.56) ALOX5PPARGMMEACE
SCHEMBL6898401 0.88 PPARG (0.56) ALOX5PPARGMMEACE
SCHEMBL6895621 0.88 MME (0.57) LPAR1MMEACE
SCHEMBL6896715 0.86 ACE (0.54) LPAR1MMEACE
SCHEMBL6897535 0.86 KMT2A (0.51) KMT2ALPAR1LPAR5MMP3ALOX5

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 KMT2A 4759/4885FPR2 245/4885LPAR1 4229/4885

“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.