SCHEMBL4393

SCHEMBL4393

Cc1noc(-c2ccc(Br)cc2)c1C1CC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PTPN1 P18031 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
CACNA1F O60840 1/20 0.34
ABCB1 P08183 1/20 0.34
CACNA1D Q01668 1/20 0.34

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
SCHEMBL18176069 0.90 TRPV1 (0.40) TRPV1PTPN1RXFP1TP53MAPT
SCHEMBL3926 0.84 ALDH1A1 (0.42) TRPV1RXFP1TP53MAPTCACNA1F
SCHEMBL4401 0.80 LPAR1 (0.39) TRPV1SLCO1B1LPAR1LPAR3ALDH1A1
SCHEMBL4402 0.79 L3MBTL1 (0.41) LPAR1
SCHEMBL2219 0.75 TRPV1 (0.39) TRPV1PTPN1TP53MAPTTHRB
SCHEMBL1563 0.73 PTPN1 (0.47) TRPV1PTPN1RXFP1TP53MAPT
SCHEMBL1784 0.72 ALDH1A1 (0.40) TRPV1PTPN1RXFP1TP53MAPT
SCHEMBL7475 0.71 PTPN1 (0.40) TRPV1PTPN1RXFP1SLCO1B1TP53
SCHEMBL6003 0.71 LPAR1 (0.54) TRPV1PTPN1RXFP1SLCO1B1TP53
SCHEMBL1279 0.70 CYP1A2 (0.43) TRPV1PTPN1RXFP1FFAR4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP 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-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO 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 (1 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 NR4A2 638/4885RXRA 205/4885RXRB 277/4885

“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.