SCHEMBL6896867

SCHEMBL6896867

CC(=O)SCCN(CCc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
LPAR1 Q92633 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.37
UTS2R Q9UKP6 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SDCBP O00560 2/20 0.35
SDC2 P34741 2/20 0.35
PPARD Q03181 1/20 0.35
POLB P06746 1/20 0.35
ACE P12821 1/20 0.35
PTGES O14684 1/20 0.35
ACACB O00763 1/20 0.34

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
SCHEMBL27538379 1.00 HSD17B10 (0.40) HSD17B10LPAR1GAATSHRUTS2R
SCHEMBL6894902 0.94 LPAR1 (0.43) HSD17B10LPAR1GAATSHRUTS2R
SCHEMBL6890752 0.90 LPAR1 (0.42) LPAR1TSHRUTS2RKMT2AMEN1
SCHEMBL27559957 0.90 LPAR1 (0.42) LPAR1TSHRUTS2RKMT2AMEN1
SCHEMBL6898352 0.90 LPAR1 (0.48) LPAR1TSHRKMT2AMEN1ACE
SCHEMBL6891444 0.90 LPAR1 (0.48) LPAR1TSHRKMT2AMEN1ACE
SCHEMBL27543517 0.90 LPAR1 (0.48) LPAR1TSHRKMT2AMEN1ACE
SCHEMBL6895896 0.89 LPAR1 (0.39) LPAR1TSHRKMT2AMEN1PPARG
SCHEMBL27560035 0.89 LPAR1 (0.39) LPAR1TSHRKMT2AMEN1PPARG
SCHEMBL6891035 0.88 PPARG (0.45) LPAR1TSHRKMT2AMEN1PPARG

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
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN 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.