SCHEMBL2644384

SCHEMBL2644384

CC(C)(C)c1ccc(NCc2ccc(/C=C/CCC(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
FFAR1 O14842 8/20 0.50
NR1H4 Q96RI1 6/20 0.46
EPHX2 P34913 3/20 0.46
FFAR4 Q5NUL3 2/20 0.46
HDAC8 Q9BY41 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL2644385 1.00 CA1 (0.53) CA1CA2FFAR1NR1H4EPHX2
SCHEMBL13778184 0.85 CYP1A2 (0.54) CA1CA2NR1H4EPHX2TRPV1
SCHEMBL13685217 0.85 CYP1A2 (0.54) CA1CA2NR1H4EPHX2TRPV1
SCHEMBL2643476 0.79 CA1 (0.54) CA1CA2FFAR1NR1H4EPHX2
SCHEMBL2643473 0.79 CA1 (0.54) CA1CA2FFAR1NR1H4EPHX2
SCHEMBL29129862 0.77 NR1H4 (0.67) CA1CA2FFAR1NR1H4EPHX2
SCHEMBL11462143 0.76 EPHX2 (0.62) CA1CA2NR1H4EPHX2TRPV1
SCHEMBL2653593 0.75 NR1H4 (0.64) CA1CA2NR1H4EPHX2HDAC8
SCHEMBL5184746 0.75 CA1 (0.70) CA1CA2NR1H4EPHX2TRPV1
SCHEMBL8461643 0.74 CA1 (0.74) CA1CA2NR1H4EPHX2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116483-A1 Glucagon antagonists/inverse agonists BEHRENS CARSTEN (DK) 2004-06-17 US disclosed
US-6649641-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-11-18 US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 US disclosed
US-20020187982-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2002-12-12 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 (2 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-20020187982-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CA1 4635/4885CA2 3400/4885FFAR1 32/4885
US-20030203946-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CA1 4635/4885CA2 3400/4885FFAR1 32/4885

“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.