SCHEMBL3704614

SCHEMBL3704614

Cc1noc(-c2ccc(C#N)cc2)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.56
TP53 P04637 3/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
BRD4 O60885 3/20 0.39
THRB P10828 1/20 0.39
PTGER4 P35408 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL3702772 0.85 TRPA1 (0.53) TRPA1TP53ALDH1A1SMN1; SMN2PKM
SCHEMBL15280716 0.83 RAB9A (0.52) ALDH1A1SMN1; SMN2MAPK1MEN1NPC1
SCHEMBL13508 0.81 PTGS1 (0.51) TRPA1TP53ALDH1A1SMN1; SMN2BRD4
SCHEMBL22467553 0.81 ALDH1A1 (0.46) TRPA1ALDH1A1SMN1; SMN2BRD4MEN1
SCHEMBL14789796 0.81 RAB9A (0.51) ALDH1A1SMN1; SMN2MAPK1MEN1NPC1
SCHEMBL928538 0.81 PTGS1 (0.54) TRPA1TP53ALDH1A1SMN1; SMN2BRD4
SCHEMBL4332210 0.80 CYP1A2 (0.47) ALDH1A1SMN1; SMN2MEN1NPC1POLB
SCHEMBL14711420 0.80 NPC1 (0.40) TRPA1ALDH1A1SMN1; SMN2PKMBRD4
SCHEMBL1563 0.80 PTPN1 (0.47) TP53ALDH1A1SMN1; SMN2PKMMAPK1
SCHEMBL4336589 0.80 MAPT (0.51) ALDH1A1SMN1; SMN2MEN1NPC1POLB

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 5 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-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 TRPA1 643/4885TP53 4287/4885ALDH1A1 3791/4885

“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.