SCHEMBL13673

SCHEMBL13673

C=CCC(O)c1c(C)noc1-c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
STAT1 P42224 1/20 0.36
MMP9 P14780 2/20 0.35
BRD4 O60885 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SIRT2 Q8IXJ6 2/20 0.31

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
SCHEMBL14649 0.88 BRD4 (0.35) NPC1RAB9ASMN1; SMN2STAT1MMP9
SCHEMBL14631 0.83 ALDH1A1 (0.33) NPC1RAB9ASMN1; SMN2STAT1MMP9
SCHEMBL18597974 0.83 S1PR1 (0.36) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL7450 0.80 HTR2A (0.37) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL1604526 0.80 HTR2A (0.37) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL14639 0.80 BRD4 (0.34) NPC1RAB9ASMN1; SMN2STAT1BRD4
SCHEMBL18597743 0.80 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2BRD4CYP1A2
SCHEMBL14633 0.79 BRD4 (0.31) NPC1RAB9ASMN1; SMN2STAT1BRD4
SCHEMBL11401 0.78 PPARA (0.31) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL2543 0.78 MLYCD (0.33) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1

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 26 patents — showing the first 20. 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
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-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-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 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
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
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
US-8217066-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists Amira Phamaceuticals, Inc. (US) 2011-04-07 US disclosed
WO-2011041694-A2 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 (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 NPC1 339/4885RAB9A 2536/4885SMN1; SMN2 4422/4885
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 NPC1 343/4885RAB9A 1971/4885SMN1; SMN2 3852/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 NPC1 343/4885RAB9A 1971/4885SMN1; SMN2 3852/4885
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists LPAR1, LPAR2, LPAR4 NPC1 343/4885RAB9A 1971/4885SMN1; SMN2 3852/4885

“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.