SCHEMBL9447

SCHEMBL9447

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1C(O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.43
LPAR3 Q9UBY5 6/20 0.43
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
ABCB4 P21439 1/20 0.39
ABCC2 Q92887 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
KCNH2 Q12809 1/20 0.36
APH1B Q8WW43 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
SCHEMBL13507 0.92 MEN1 (0.40) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL9634 0.90 LPAR1 (0.46) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL1608181 0.89 LPAR1 (0.46) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL3312 0.89 LPAR1 (0.46) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL1607216 0.89 LPAR1 (0.46) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL10190 0.89 LPAR1 (0.41) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL9225 0.88 GPR55 (0.39) LPAR1LPAR3GPR55KDRTEK
SCHEMBL10071 0.87 FFAR1 (0.41) GPR55KDRTEKPSEN1PSEN2
SCHEMBL9922 0.85 GPR55 (0.41) GPR55KDRTEKPSEN1PSEN2
SCHEMBL9417 0.85 LPAR1 (0.43) LPAR1LPAR3ABCC3ABCC4ABCB11

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778983-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-07-15 US claimed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
EP-2483269-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 US claimed
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
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-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
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
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 (3 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-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ABCC3 2836/4885
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ABCC3 2836/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ABCC3 2836/4885

“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.