SCHEMBL16699547

SCHEMBL16699547

Cn1nnc(-c2ccc(-c3ccc(C4(C(=O)NS(C)(=O)=O)CC4)cc3)cc2)c1NC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 19/20 0.74
LPAR3 Q9UBY5 10/20 0.74
HRH1 P35367 1/20 0.38
MLYCD O95822 1/20 0.36

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
SCHEMBL16706498 0.85 LPAR1 (1.00) LPAR1LPAR3HRH1
SCHEMBL16697513 0.80 LPAR1 (0.75) LPAR1LPAR3HRH1MLYCD
SCHEMBL16699589 0.80 LPAR1 (0.56) LPAR1LPAR3HRH1
SCHEMBL16706499 0.78 LPAR1 (1.00) LPAR1LPAR3HRH1
SCHEMBL3678803 0.76 LPAR1 (0.53) LPAR1LPAR3MLYCD
SCHEMBL2636016 0.74 LPAR1 (0.54) LPAR1LPAR3MLYCD
SCHEMBL23235506 0.74 LPAR1 (0.53) LPAR1LPAR3HRH1MLYCD
SCHEMBL23235418 0.74 LPAR1 (0.53) LPAR1LPAR3HRH1MLYCD
SCHEMBL16700049 0.73 LPAR1 (1.00) LPAR1LPAR3HRH1
SCHEMBL16700053 0.73 LPAR1 (1.00) LPAR1LPAR3HRH1

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-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US claimed
US-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-14 US claimed
US-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US disclosed
US-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-14 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 (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-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885HRH1 1003/4885

“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.