SCHEMBL4877

SCHEMBL4877

CCc1noc(-c2ccc(Br)cc2)c1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 8/20 0.42
BECN1 Q14457 6/20 0.42
HDAC1 Q13547 6/20 0.39
HDAC3 O15379 4/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC10 Q969S8 3/20 0.39
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP17A1 P05093 1/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 1/20 0.38
PSMB8 P28062 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL1345 0.84 LPAR1 (0.53) BCL2BECN1HDAC1HDAC3HDAC2
SCHEMBL4304 0.84 RAB9A (0.40) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL343798 0.79 LPAR1 (0.65) NPC1RAB9ASMN1; SMN2LPAR1LPAR3
SCHEMBL4356 0.79 LPAR1 (0.45) CYP17A1LPAR1
SCHEMBL31049789 0.76 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2CYP17A1
SCHEMBL13191197 0.75 RAB9A (0.44) BCL2BECN1HDAC1HDAC3HDAC2
SCHEMBL343669 0.75 LPAR1 (0.48) HDAC1HDAC8HDAC6LPAR1LPAR3
SCHEMBL18597681 0.74 LPAR1 (0.52) BCL2BECN1HDAC1HDAC3HDAC2
SCHEMBL2761399 0.73 LPAR1 (0.54) BCL2LPAR1LPAR3TP53MAPT
SCHEMBL14790131 0.73 RAB9A (0.34) HDAC1HDAC8HDAC6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
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-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2014-09-11 US disclosed
US-8778983-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-07-15 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
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483269-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041461-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
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, 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 (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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 BCL2 2939/4885BECN1 2092/4885HDAC1 498/4885
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 BCL2 2939/4885BECN1 2092/4885HDAC1 498/4885
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 BCL2 2939/4885BECN1 2092/4885HDAC1 498/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 BCL2 2939/4885BECN1 2092/4885HDAC1 498/4885

“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.