SCHEMBL2072

SCHEMBL2072

Cc1noc(-c2ccc(Br)cc2)c1CC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LPAR1 Q92633 3/20 0.40
RAB9A P51151 2/20 0.39

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
SCHEMBL1555 0.86 HTT (0.45) ALDH1A1HPGDKDM4EL3MBTL1MAPK1
SCHEMBL6491 0.84 LPAR1 (0.53) HPGDL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL1475 0.81 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL13967 0.81 PPARG (0.39) ALDH1A1KDM4EL3MBTL1HTTHSD17B10
SCHEMBL1279 0.80 CYP1A2 (0.43) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL1358 0.80 ABCC3 (0.43) KDM4EL3MBTL1TSHRNPSR1LPAR1
SCHEMBL6821 0.79 AKR1C3 (0.46) ALDH1A1MEN1KMT2ALPAR1AKR1C3
SCHEMBL343051 0.79 LPAR1 (0.56) ALDH1A1KDM4ESMN1; SMN2TSHRHSD17B10
SCHEMBL7106 0.78 P2RX7 (0.46) TSHRAKR1C3
SCHEMBL18597777 0.78 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ENPY1RNPY2R

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 17 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
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
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
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-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-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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
US-8217066-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO 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 ALDH1A1 3726/4885HPGD 1947/4885KDM4E 4078/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 ALDH1A1 3726/4885HPGD 1947/4885KDM4E 4078/4885
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists LPAR1, LPAR2, LPAR4 ALDH1A1 3726/4885HPGD 1947/4885KDM4E 4078/4885

“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.