SCHEMBL343220

SCHEMBL343220

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)NS(C)(=O)=O)CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.79
ABCC3 O15438 1/20 0.79
ABCC4 O15439 1/20 0.79
ABCB11 O95342 1/20 0.79
CYP2C8 P10632 1/20 0.79
CYP2C9 P11712 1/20 0.79
ABCB4 P21439 1/20 0.79
ABCC2 Q92887 1/20 0.79
SLCO1B3 Q9NPD5 1/20 0.79
SLCO1B1 Q9Y6L6 1/20 0.79
LPAR3 Q9UBY5 13/20 0.66
LPAR2 Q9HBW0 2/20 0.51
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
SCHEMBL343602 0.92 LPAR1 (0.77) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12123688 0.92 LPAR1 (0.77) LPAR1ABCC3ABCC4ABCB11CYP2C8
Bms-986020 SCHEMBL344742 0.89 LPAR1 (1.00) LPAR1ABCC3ABCC4ABCB11CYP2C8
Bms-986020 SCHEMBL14590 0.89 LPAR1 (1.00) LPAR1ABCC3ABCC4ABCB11CYP2C8
Bms-986020 SCHEMBL343068 0.89 LPAR1 (1.00) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL342813 0.89 LPAR1 (0.69) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14794837 0.88 LPAR1 (0.98) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL22257227 0.88 LPAR1 (0.98) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12123670 0.87 LPAR1 (0.86) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL15280709 0.87 LPAR1 (0.86) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-19 US claimed
US-8058300-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-15 US claimed
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
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
WO-2011159632-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS OR DISEASES OF THE EYE AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2011159635-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST FOR THE TREATMENT OF DERMAL CONDITIONS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2011159633-A1 INHALABLE FORMULATIONS OF LYSOPHOSPHATDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
US-8058300-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-8058300-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 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-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885ABCC3 2717/4885ABCC4 2854/4885
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
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885ABCC3 2717/4885ABCC4 2854/4885

“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.