SCHEMBL14727

SCHEMBL14727

Cc1noc(-c2ccc(-c3ccc(C#CC(=O)O)cc3)cc2)c1NC(C)CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.39
MAPT P10636 2/20 0.38
LPAR1 Q92633 2/20 0.37
FFAR1 O14842 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
USP2 O75604 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA1A P35348 2/20 0.36
DRD3 P35462 2/20 0.36
HTR2B P41595 2/20 0.36
NR1I2 O75469 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADRA2B P18089 1/20 0.36

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
SCHEMBL13720116 1.00 PTGES (0.39) PTGESMAPTLPAR1FFAR1CYP3A4
SCHEMBL14736 0.91 MAPT (0.36) PTGESMAPTLPAR1CYP3A4CYP1A2
SCHEMBL13830939 0.87 IP6K1 (0.43) MAPTLPAR1CYP3A4CYP1A2CYP2D6
SCHEMBL13720242 0.86 LPAR1 (0.51) MAPTLPAR1CYP3A4CYP1A2CYP2D6
SCHEMBL14570 0.86 FFAR1 (0.47) MAPTLPAR1FFAR1CYP3A4CYP1A2
SCHEMBL18575635 0.84 CYP3A4 (0.38) MAPTLPAR1CYP3A4CYP1A2CYP2D6
SCHEMBL18575636 0.84 PPARD (0.40) MAPTLPAR1FFAR1CYP3A4CYP1A2
SCHEMBL13831064 0.83 USP2 (0.44) MAPTLPAR1CYP3A4CYP1A2CYP2D6
SCHEMBL6986 0.83 LPAR1 (0.51) MAPTLPAR1CYP3A4CYP1A2CYP2D6
SCHEMBL1732 0.82 LMNA (0.40) MAPTLPAR1CYP3A4CYP1A2CYP2D6

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 10 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
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
WO-2011041694-A2 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 (2 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 PTGES 449/4885MAPT 3775/4885LPAR1 1/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 PTGES 449/4885MAPT 3775/4885LPAR1 1/4885

“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.