SCHEMBL4463686

SCHEMBL4463686

Cc1cc(NC(=O)C2(NC(=O)c3ccc(Br)s3)CCOC2)ccc1N1CCOCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.47
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB2 Q00653 2/20 0.38
KMT2A Q03164 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 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
SCHEMBL3778883 1.00 F10 (0.47) F10HTTMEN1NPC1NFKB1
SCHEMBL3779946 1.00 F10 (0.47) F10HTTMEN1NPC1NFKB1
SCHEMBL4458523 0.94 F10 (0.49) F10HTTMEN1NPC1NFKB1
SCHEMBL4463475 0.94 F10 (0.42) F10HTTMEN1NPC1NFKB1
SCHEMBL13012455 0.93 F10 (0.55) F10
SCHEMBL4465692 0.93 F10 (0.55) F10
SCHEMBL13012277 0.93 F10 (0.55) F10
SCHEMBL4478252 0.92 F10 (0.48) F10HTTMEN1NPC1NFKB1
SCHEMBL4462619 0.92 F10 (0.48) F10HTTMEN1NPC1NFKB1
SCHEMBL4466756 0.92 F10 (0.46) F10HTTMEN1NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 US disclosed
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-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
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 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
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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 (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-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 F10 1005/4885HTT 2125/4885MEN1 2902/4885
US-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC F10 2132/4885HTT 2031/4885MEN1 2017/4885
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 1040/4885HTT 1914/4885MEN1 2927/4885

“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.