SCHEMBL2834340

SCHEMBL2834340

Cc1noc(-c2ccc(-c3ccc(CC#N)cc3)cc2)c1[C@@H](Cc1ccccc1Cl)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.41
LPAR2 Q9HBW0 2/20 0.41
LPAR3 Q9UBY5 2/20 0.41
P2RX7 Q99572 1/20 0.36
TRPA1 O75762 1/20 0.35
MME P08473 1/20 0.35
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
ALOX5 P09917 1/20 0.34
ALOX5AP P20292 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ITGB7 P26010 1/20 0.33
CNR1 P21554 3/20 0.33
KMT2A Q03164 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
S1PR1 P21453 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
SCHEMBL2839139 0.89 CTSK (0.37) LPAR1LPAR2LPAR3TRPA1MME
SCHEMBL16060874 0.88 LPAR1 (0.42) LPAR1LPAR2LPAR3P2RX7ITGB1
SCHEMBL16496502 0.86 ALOX5 (0.40) LPAR1LPAR2LPAR3P2RX7ALOX5
SCHEMBL11896374 0.85 MAPT (0.39) P2RX7TSHRMAPTKMT2A
SCHEMBL2762347 0.85 LPAR1 (0.41) LPAR1LPAR2LPAR3P2RX7ALOX5
SCHEMBL2839111 0.85 LPAR1 (0.41) LPAR1LPAR2LPAR3P2RX7ALOX5
SCHEMBL2837769 0.80 P2RX7 (0.37) LPAR1LPAR2LPAR3P2RX7MME
SCHEMBL2836944 0.78 KMT2A (0.38) LPAR1LPAR2LPAR3P2RX7TSHR
SCHEMBL16496187 0.77 LPAR1 (0.36) LPAR1LPAR2LPAR3P2RX7KDM4E
SCHEMBL2762720 0.77 TRPA1 (0.38) LPAR1LPAR3TRPA1TSHRSMN1; SMN2

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
EP-2358688-B1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2014-03-12 EP claimed
US-8440707-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-05-14 US claimed
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US claimed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US claimed
US-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 US claimed
US-20150164874-A1 PIRFENIDONE AND ANTI-FIBROTIC THERAPY IN SELECTED PATIENTS INTERMUNE, INC. (US) 2015-06-18 US disclosed
EP-2358688-B1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2014-03-12 EP disclosed
US-8440707-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 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 (4 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-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885LPAR3 5/4885
US-20150164874-A1 PIRFENIDONE AND ANTI-FIBROTIC THERAPY IN SELECTED PATIENTS FIBP, PTGFR, MMP1 LPAR1 1534/4885LPAR2 1143/4885LPAR3 747/4885
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885LPAR3 5/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885LPAR3 5/4885

“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.