SCHEMBL4022155

SCHEMBL4022155

CC(c1ccccc1Cl)N(C(=O)O)c1conc1-c1ccc(CCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.47
LPAR3 Q9UBY5 3/20 0.37
LPAR2 Q9HBW0 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR4A2 P43354 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL4024811 0.92 LPAR1 (0.47) LPAR1LPAR3LPAR2GPBAR1MEN1
SCHEMBL4027626 0.91 LPAR1 (0.44) LPAR1LPAR3LPAR2GPBAR1MEN1
SCHEMBL4023164 0.89 LPAR1 (0.39) LPAR1
SCHEMBL4022280 0.89 LPAR1 (0.41) LPAR1LPAR3LPAR2GPBAR1MEN1
SCHEMBL4022910 0.88 LPAR1 (0.41) LPAR1LPAR3LPAR2GPBAR1
SCHEMBL4021242 0.88 LPAR1 (0.41) LPAR1LPAR3LPAR2GPBAR1
SCHEMBL4027629 0.84 LPAR1 (0.39) LPAR1KMT2A
SCHEMBL4027632 0.84 LPAR1 (0.39) LPAR1KMT2A
SCHEMBL4022860 0.81 LPAR1 (0.44) LPAR1
SCHEMBL4023243 0.80 LPAR1 (0.45) LPAR1

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-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-20060194850-A1 Novel azole compound AJINOMOTO CO. INC (JP) 2006-08-31 US 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 (3 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 2/4885
US-20130041000-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 2/4885
US-20060194850-A1 Novel azole compound LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 2/4885

“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.