SCHEMBL6894902

SCHEMBL6894902

CC(=O)SCCN(CCCc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.43
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.38
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
TSHR P16473 2/20 0.36
UTS2R Q9UKP6 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL6896867 0.94 HSD17B10 (0.40) LPAR1HSD17B10GAAPPARAPPARG
SCHEMBL27538379 0.94 HSD17B10 (0.40) LPAR1HSD17B10GAAPPARAPPARG
SCHEMBL27538356 0.90 LPAR1 (0.53) LPAR1TSHRKMT2AMEN1
SCHEMBL6895993 0.90 LPAR1 (0.53) LPAR1TSHRKMT2AMEN1
SCHEMBL6889315 0.89 LPAR1 (0.43) LPAR1PPARAPPARGTSHRKMT2A
SCHEMBL27570975 0.86 MAPT (0.38) LPAR1GAAPPARAPPARGUTS2R
SCHEMBL27570976 0.86 MAPT (0.38) LPAR1GAAPPARAPPARGUTS2R
SCHEMBL6898907 0.85 LPAR1 (0.47) LPAR1HSD17B10GAAPPARAPPARG
SCHEMBL6890752 0.84 LPAR1 (0.42) LPAR1PPARAPPARGTSHRUTS2R
SCHEMBL27559957 0.84 LPAR1 (0.42) LPAR1PPARAPPARGTSHRUTS2R

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 LPAR1 4229/4885HSD17B10 1909/4885GAA 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.