SCHEMBL6896834

SCHEMBL6896834

C[C@H](NC(=O)N(CCO)CCc1ccncc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.43
TSHR P16473 3/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ACE P12821 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
MAPT P10636 1/20 0.35
CHRM1 P11229 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
SCHEMBL6896205 0.88 LPAR1 (0.53) LPAR1TSHRKMT2AMEN1CYP2C9
SCHEMBL6890154 0.88 LPAR1 (0.53) LPAR1TSHRKMT2AMEN1CYP2C9
SCHEMBL6897343 0.86 LPAR1 (0.46) LPAR1TSHRKMT2AMEN1CA12
SCHEMBL6890174 0.85 HSD17B10 (0.44) LPAR1TSHRKMT2AMEN1POLB
SCHEMBL6898167 0.85 LPAR1 (0.43) LPAR1TSHRKMT2AMEN1CYP3A4
SCHEMBL27559991 0.84 LPAR1 (0.39) LPAR1TSHRKMT2AMEN1CYP3A4
SCHEMBL6893578 0.84 LPAR1 (0.39) LPAR1TSHRKMT2AMEN1CYP3A4
SCHEMBL6891314 0.84 LPAR1 (0.47) LPAR1TSHRKMT2AMEN1ACE
SCHEMBL27538362 0.83 CYP17A1 (0.39) TSHRKMT2AMEN1POLBALDH1A1
SCHEMBL27538364 0.83 CYP17A1 (0.39) TSHRKMT2AMEN1POLBALDH1A1

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 4229/4885TSHR 580/4885KMT2A 4759/4885

“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.