SCHEMBL1604091

SCHEMBL1604091

Cc1noc(-c2ccc(Br)cc2)c1C(O)C(F)(F)C=Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 1/20 0.32
CASP3 P42574 3/20 0.32
SENP7 Q9BQF6 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SENP8 Q96LD8 2/20 0.32
SENP6 Q9GZR1 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
HDAC1 Q13547 1/20 0.30
CYP1B1 Q16678 1/20 0.30
ABCC3 O15438 1/20 0.30
ABCC4 O15439 1/20 0.30

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
SCHEMBL14726 1.00 GAA (0.33) GAALPAR1LPAR3CASP3SENP7
SCHEMBL1604134 0.90 KMT2A (0.33) CASP3SENP7SENP8SENP6RAB9A
SCHEMBL14705 0.90 KMT2A (0.33) CASP3SENP7SENP8SENP6RAB9A
SCHEMBL14789 0.89 TRPV1 (0.37) CASP3MAPTHDAC1KMT2AMLYCD
SCHEMBL2543 0.84 MLYCD (0.33) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7477 0.81 ABCC3 (0.37) LPAR1MAPTSMN1; SMN2ALDH1A1HDAC1
SCHEMBL1604526 0.79 HTR2A (0.37) GAALPAR1LPAR3CASP3SENP7
SCHEMBL7450 0.79 HTR2A (0.37) GAALPAR1LPAR3CASP3SENP7
SCHEMBL1524 0.78 ABCC3 (0.41) LPAR1TDP1ABCC3ABCC4ABCB11
SCHEMBL1604684 0.78 ABCC3 (0.41) LPAR1TDP1ABCC3ABCC4ABCB11

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
US-8217066-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists Amira Phamaceuticals, Inc. (US) 2011-04-07 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 GAA 1192/4885LPAR1 1/4885LPAR3 5/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 GAA 1192/4885LPAR1 1/4885LPAR3 5/4885
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists LPAR1, LPAR2, LPAR4 GAA 1192/4885LPAR1 1/4885LPAR3 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.