SCHEMBL6890174

SCHEMBL6890174

C[C@H](NC(=O)N(CCO)CCc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
LPAR1 Q92633 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
POLB P06746 1/20 0.38
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AOC3 Q16853 1/20 0.38
PTGES O14684 1/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38

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
SCHEMBL6898907 0.94 LPAR1 (0.47) HSD17B10LPAR1GAATSHRKMT2A
SCHEMBL6897343 0.88 LPAR1 (0.46) LPAR1TSHRKMT2AMEN1L3MBTL1
SCHEMBL6890154 0.88 LPAR1 (0.53) LPAR1TSHRKMT2AMEN1
SCHEMBL6896205 0.88 LPAR1 (0.53) LPAR1TSHRKMT2AMEN1
SCHEMBL6898167 0.87 LPAR1 (0.43) LPAR1TSHRKMT2AMEN1PPARG
SCHEMBL6891314 0.86 LPAR1 (0.47) LPAR1TSHRKMT2AMEN1PPARG
SCHEMBL6894701 0.85 LPAR1 (0.48) LPAR1KMT2AALDH1A1AOC3PTGES
SCHEMBL6896834 0.85 LPAR1 (0.43) HSD17B10LPAR1TSHRKMT2AMEN1
SCHEMBL27538379 0.84 HSD17B10 (0.40) HSD17B10LPAR1GAATSHRKMT2A
SCHEMBL6896867 0.84 HSD17B10 (0.40) HSD17B10LPAR1GAATSHRKMT2A

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 HSD17B10 1909/4885LPAR1 4229/4885GAA 2480/4885

“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.