SCHEMBL6895919

SCHEMBL6895919

COc1ccc(CCN(CCSC(C)=O)C(=O)N[C@@H](C)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.45
ALDH1A1 P00352 3/20 0.43
LPAR5 Q9H1C0 1/20 0.42
KMT2A Q03164 2/20 0.42
ALOX5 P09917 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LDHA P00338 1/20 0.39
PTGES O14684 1/20 0.39
F2RL1 P55085 1/20 0.39
AOC3 Q16853 1/20 0.38
BMP1 P13497 1/20 0.38
UTS2R Q9UKP6 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
SCHEMBL27538306 1.00 LPAR1 (0.45) LPAR1ALDH1A1LPAR5KMT2AALOX5
SCHEMBL6890752 0.88 LPAR1 (0.42) LPAR1KMT2AUTS2R
SCHEMBL27559957 0.88 LPAR1 (0.42) LPAR1KMT2AUTS2R
SCHEMBL6891444 0.88 LPAR1 (0.48) LPAR1KMT2ASMN1; SMN2
SCHEMBL27543517 0.88 LPAR1 (0.48) LPAR1KMT2ASMN1; SMN2
SCHEMBL6898352 0.88 LPAR1 (0.48) LPAR1KMT2ASMN1; SMN2
SCHEMBL6896867 0.87 HSD17B10 (0.40) LPAR1ALDH1A1KMT2APTGESUTS2R
SCHEMBL6895896 0.87 LPAR1 (0.39) LPAR1KMT2A
SCHEMBL27560035 0.87 LPAR1 (0.39) LPAR1KMT2A
SCHEMBL27538379 0.87 HSD17B10 (0.40) LPAR1ALDH1A1KMT2APTGESUTS2R

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 LPAR1 4229/4885ALDH1A1 1309/4885LPAR5 4402/4885

“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.