SCHEMBL2839192

SCHEMBL2839192

Cc1noc(-c2ccc(-c3ccc(CC(=N)N)cc3)cc2)c1[C@@H](Cc1ccccc1F)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.40
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 2/20 0.38
NR3C2 P08235 2/20 0.33
P2RX7 Q99572 1/20 0.33
NR3C1 P04150 1/20 0.33
SLC26A6 Q9BXS9 1/20 0.32
CYP19A1 P11511 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
ABCB4 P21439 1/20 0.32
ABCC2 Q92887 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32

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
SCHEMBL16496187 0.87 LPAR1 (0.36) LPAR1LPAR3LPAR2NR3C2P2RX7
SCHEMBL11896354 0.86 KMT2A (0.37) KMT2AALDH1A1
SCHEMBL16496719 0.86 TSHR (0.38) LPAR1LPAR3P2RX7SLC26A6ALDH1A1
SCHEMBL2839139 0.85 CTSK (0.37) LPAR1LPAR3LPAR2NR3C2NR3C1
SCHEMBL2836559 0.85 ALDH1A1 (0.39) LPAR1LPAR3LPAR2P2RX7SLC26A6
SCHEMBL16496544 0.85 SLC26A6 (0.35) LPAR1LPAR3P2RX7SLC26A6MAPT
SCHEMBL16496520 0.82 TRPA1 (0.46) MAPT
SCHEMBL2837640 0.80 MAPT (0.35) P2RX7SLC26A6KMT2AALDH1A1MAPT
SCHEMBL16060874 0.76 LPAR1 (0.42) LPAR1LPAR3LPAR2P2RX7SLC26A6
SCHEMBL16060372 0.75 LPAR1 (0.40) LPAR1LPAR3LPAR2NR3C2NR3C1

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-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-20130150426-A1 METHODS OF DIAGNOSING AND TREATING IDIOPATHIC PULMONARY FIBROSIS INTERMUNE, INC. (US) 2013-06-13 US disclosed
US-8440707-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301211-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 1/4885LPAR3 5/4885LPAR2 2/4885
US-20150164874-A1 PIRFENIDONE AND ANTI-FIBROTIC THERAPY IN SELECTED PATIENTS FIBP, PTGFR, MMP1 LPAR1 1534/4885LPAR3 747/4885LPAR2 1143/4885
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885LPAR2 2/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885LPAR2 2/4885

“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.