SCHEMBL4461010

SCHEMBL4461010

Cc1cc(NC(=O)C2(NC(=O)OC(C)(C)C)CCOC2)ccc1N1CCOCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.41
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
ITGA4 P13612 2/20 0.38
GHSR Q92847 1/20 0.38
PRKDC P78527 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL4006066 0.92 F10 (0.49) F10CNR2CNR1CA12CA1
SCHEMBL5510857 0.87 F10 (0.40) F10CNR2ITGA4PRKDCCA12
SCHEMBL5502455 0.84 F10 (0.42) F10CNR2CNR1
SCHEMBL4005473 0.83 F10 (0.49) F10
SCHEMBL4478016 0.82 F10 (0.50) F10CA12CA1CA9RAF1
SCHEMBL3779946 0.80 F10 (0.47) F10
SCHEMBL3778883 0.80 F10 (0.47) F10
SCHEMBL4463686 0.80 F10 (0.47) F10
SCHEMBL4474943 0.80 F10 (0.43) F10CNR2CNR1ITGA4L3MBTL1
SCHEMBL13012366 0.78 GHSR (0.46) GHSRPRKDC

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-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
WO-2008080891-A2 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-10 WO disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 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-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC F10 2132/4885CNR2 840/4885CNR1 1365/4885
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 F10 1040/4885CNR2 2030/4885CNR1 2814/4885

“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.