SCHEMBL15280767

SCHEMBL15280767

C=C(O)C1(c2ccc(-c3ccc(-c4oncc4NC(=O)O[C@H](C)c4ccccc4)cc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.60
ABCC3 O15438 1/20 0.60
ABCC4 O15439 1/20 0.60
ABCB11 O95342 1/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2C9 P11712 1/20 0.60
ABCB4 P21439 1/20 0.60
ABCC2 Q92887 1/20 0.60
SLCO1B3 Q9NPD5 1/20 0.60
SLCO1B1 Q9Y6L6 1/20 0.60
LPAR3 Q9UBY5 13/20 0.53
HRH1 P35367 1/20 0.49

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
SCHEMBL343989 0.93 LPAR1 (0.69) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343988 0.93 LPAR1 (0.69) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14710718 0.83 LPAR1 (0.62) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12123670 0.83 LPAR1 (0.86) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL15280709 0.83 LPAR1 (0.86) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12123679 0.83 LPAR1 (0.86) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL342802 0.82 LPAR1 (0.55) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14711461 0.81 LPAR1 (0.58) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14710425 0.81 LPAR1 (0.55) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14710898 0.80 LPAR1 (0.56) LPAR1ABCC3ABCC4ABCB11CYP2C8

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-20130253019-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS OR DISEASES OF THE EYE AMIRA PHARMACEUTICALS, INC. 2013-09-26 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-20130253019-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS OR DISEASES OF THE EYE LPAR1, LPAR2, LPAR5 LPAR1 1/4885ABCC3 3873/4885ABCC4 4136/4885

“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.