SCHEMBL2761580

SCHEMBL2761580

Cc1noc(-c2ccc(Cl)nc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.42
NOTUM Q6P988 1/20 0.38
NPC1 O15118 5/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 3/20 0.37
POLB P06746 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
IP6K1 Q92551 2/20 0.37
IP6K3 Q96PC2 2/20 0.37
IP6K2 Q9UHH9 2/20 0.37
KDM4E B2RXH2 1/20 0.36
FTO Q9C0B1 1/20 0.36
PIK3CD O00329 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BACE1 P56817 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL2761325 0.85 HTT (0.51) NOTUMNPC1MAPTNPSR1RAB9A
SCHEMBL4336589 0.82 MAPT (0.51) NPC1MAPTNPSR1RAB9APOLB
SCHEMBL2761348 0.81 MAPT (0.51) NAPRTNPC1MAPTRAB9APOLB
SCHEMBL3823273 0.79 CCNC (0.38) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL15280716 0.79 RAB9A (0.52) NPC1MAPTNPSR1RAB9APOLB
SCHEMBL19216619 0.78 IDH1 (0.45) NAPRTMAPTNPSR1POLBIP6K1
SCHEMBL14789796 0.77 RAB9A (0.51) NPC1MAPTNPSR1RAB9APOLB
SCHEMBL22467553 0.77 ALDH1A1 (0.46) NPC1MAPTNPSR1RAB9APOLB
SCHEMBL13508 0.77 PTGS1 (0.51) MAPTMEN1KMT2AIP6K1IP6K3
SCHEMBL928538 0.77 PTGS1 (0.54) MAPTMEN1KMT2AIP6K1IP6K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 NAPRT 1056/4885NOTUM 1369/4885NPC1 443/4885

“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.