SCHEMBL13477

SCHEMBL13477

CCOC(=O)C=C(NC)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
NHERF1 O14745 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAOB P27338 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
OGG1 O15527 1/20 0.39
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL1273130 0.84 MAPT (0.48) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL629505 0.84 MAPT (0.48) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL629506 0.84 MAPT (0.48) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL6483582 0.84 ALDH1A1 (0.50) MAPTALDH1A1KMT2AHPGDLMNA
SCHEMBL6483587 0.84 ALDH1A1 (0.50) MAPTALDH1A1KMT2AHPGDLMNA
SCHEMBL15267351 0.82 MAPT (0.39) MAPTALDH1A1KMT2AHPGDLMNA
SCHEMBL6838857 0.82 KMT2A (0.42) MAPTALDH1A1KMT2AHPGDLMNA
SCHEMBL6822490 0.82 KMT2A (0.42) MAPTALDH1A1KMT2AHPGDLMNA
SCHEMBL658023 0.81 MAPT (0.49) MAPTALDH1A1KMT2AHPGDLMNA
SCHEMBL2192541 0.80 KMT2A (0.47) MAPTALDH1A1KMT2AHPGDLMNA

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
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-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8541587-B2 Lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 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
WO-2012138797-A1 3- OR 5 - BI PHENYL - 4 - YLISOXAZOLE - BASED COMPOUNDS USEFUL FOR THE TREATMENT OF FIBROSIS, PAIN, CANCER AND RESPIRATORY, ALLERGIC, NERVOUS SYSTEM OR CARDIOVASCULAR DISORDERS AMIRA PHARMACEUTICALS, INC. (US) 2012-10-11 WO disclosed
US-20120258987-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (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-20120258987-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 MAPT 4154/4885ALDH1A1 3853/4885KMT2A 2257/4885
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 MAPT 4435/4885ALDH1A1 3990/4885KMT2A 1424/4885
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 MAPT 3775/4885ALDH1A1 3726/4885KMT2A 2185/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 MAPT 3775/4885ALDH1A1 3726/4885KMT2A 2185/4885

“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.