SCHEMBL16700545

SCHEMBL16700545

CC(OC(=O)Nc1c(-c2ccc(Br)cc2)nnn1C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 16/20 0.74
LPAR3 Q9UBY5 12/20 0.74
AKR1C3 P42330 1/20 0.40
KLRK1 P26718 1/20 0.39
MICA Q29983 1/20 0.39
RAET1L Q5VY80 1/20 0.39
PTGFR P43088 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL16700368 0.85 LPAR1 (1.00) LPAR1LPAR3
SCHEMBL16699793 0.85 LPAR1 (1.00) LPAR1LPAR3
SCHEMBL16699795 0.85 LPAR1 (1.00) LPAR1LPAR3
SCHEMBL14711410 0.85 LPAR1 (0.76) LPAR1LPAR3
SCHEMBL16700972 0.85 LPAR1 (0.87) LPAR1LPAR3
SCHEMBL16706499 0.82 LPAR1 (1.00) LPAR1LPAR3
SCHEMBL24868274 0.79 LPAR1 (0.57) LPAR1LPAR3
SCHEMBL30191944 0.79 LPAR1 (0.57) LPAR1LPAR3
SCHEMBL25897723 0.79 LPAR1 (0.57) LPAR1LPAR3
SCHEMBL30192205 0.79 LPAR1 (0.59) LPAR1LPAR3

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 2 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 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 3/4885AKR1C3 542/4885

“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.