SCHEMBL25955338

SCHEMBL25955338

Cc1nc(-c2nnn(C)c2NC(=O)O[C@H](C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 17/20 0.47
LPAR3 Q9UBY5 11/20 0.41
CES2 O00748 1/20 0.34
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
TBXA2R P21731 1/20 0.34
AADAC P22760 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL31138084 1.00 LPAR1 (0.47) LPAR1LPAR3CES2ABCB11ALDH1A1
SCHEMBL25955351 0.89 LPAR1 (0.45) LPAR1LPAR3
SCHEMBL31138079 0.89 LPAR1 (0.45) LPAR1LPAR3
SCHEMBL31138085 0.88 LPAR1 (0.48) LPAR1LPAR3
SCHEMBL25955237 0.88 LPAR1 (0.48) LPAR1LPAR3
SCHEMBL25955475 0.87 LPAR1 (0.49) LPAR1LPAR3GRM5
SCHEMBL31138096 0.87 LPAR1 (0.49) LPAR1LPAR3GRM5
SCHEMBL25338858 0.86 LPAR1 (0.55) LPAR1LPAR3
SCHEMBL25338855 0.86 LPAR1 (0.55) LPAR1LPAR3
SCHEMBL23383949 0.83 LPAR1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-08-10 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-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885CES2 2216/4885

“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.