SCHEMBL2636082

SCHEMBL2636082

COc1cc(-c2ccc(C3(C(=O)NS(C)(=O)=O)CC3)cc2)ccc1-c1onc(C)c1NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.44
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
ABCB4 P21439 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
LPAR3 Q9UBY5 2/20 0.41
TTK P33981 1/20 0.37
TP53 P04637 3/20 0.35
BRD4 O60885 4/20 0.35
BRD2 P25440 3/20 0.35
BRD3 Q15059 3/20 0.35
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2636016 0.86 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343061 0.82 LPAR1 (0.62) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761471 0.78 LPAR1 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL5380 0.77 LPAR1 (0.53) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636512 0.75 LPAR1 (0.55) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343220 0.75 LPAR1 (0.79) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL5185 0.74 LPAR1 (0.43) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636412 0.72 LPAR1 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12984328 0.71 LPAR1 (0.43) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343688 0.71 LPAR1 (0.65) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438048-B1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2013-12-18 EP claimed
US-8273780-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2012-09-25 US claimed
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP claimed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 US claimed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO claimed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO claimed
EP-2438048-B1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2013-12-18 EP disclosed
US-8273780-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP 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
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO 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-20100311799-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.