SCHEMBL6897343

SCHEMBL6897343

Cc1ccc(CCN(CCO)C(=O)N[C@@H](C)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.46
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
ACE P12821 1/20 0.36
MMP8 P22894 1/20 0.35
FFAR1 O14842 1/20 0.35
MCHR1 Q99705 1/20 0.35
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 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
SCHEMBL6890154 0.89 LPAR1 (0.53) LPAR1MEN1TSHRKMT2AACE
SCHEMBL6896205 0.89 LPAR1 (0.53) LPAR1MEN1TSHRKMT2AACE
SCHEMBL6890174 0.88 HSD17B10 (0.44) LPAR1MEN1TSHRKMT2AHDAC1
SCHEMBL6898167 0.88 LPAR1 (0.43) LPAR1MEN1TSHRKMT2AMAPK1
SCHEMBL6891314 0.87 LPAR1 (0.47) LPAR1MEN1TSHRKMT2AACE
SCHEMBL6894701 0.86 LPAR1 (0.48) LPAR1KMT2A
SCHEMBL6896834 0.86 LPAR1 (0.43) LPAR1MEN1TSHRKMT2ACA12
SCHEMBL6897318 0.84 TSHR (0.47) LPAR1MEN1TSHRKMT2AACE
SCHEMBL6890752 0.84 LPAR1 (0.42) LPAR1MEN1TSHRKMT2AHDAC1
SCHEMBL27559957 0.84 LPAR1 (0.42) LPAR1MEN1TSHRKMT2AHDAC1

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 4229/4885MEN1 4882/4885TSHR 580/4885

“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.