SCHEMBL962658

SCHEMBL962658

Cc1ccccc1-c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.67
CA2 P00918 9/20 0.67
CA9 Q16790 8/20 0.67
CA12 O43570 7/20 0.67
BRD4 O60885 1/20 0.55
CA13 Q8N1Q1 1/20 0.50
IKBKB O14920 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HTR7 P34969 1/20 0.49
LRRK2 Q5S007 1/20 0.48
C1S P09871 1/20 0.48
PTGES2 Q9H7Z7 1/20 0.48
CA4 P22748 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TTK P33981 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
CREBBP Q92793 1/20 0.46

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
SCHEMBL4435170 0.88 CA2 (0.55) CA1CA2CA9CA12BRD4
SCHEMBL28146304 0.85 CA9 (0.54) CA1CA2CA9CA12BRD4
SCHEMBL4733938 0.84 CA2 (0.64) CA1CA2CA9CA12BRD4
SCHEMBL14120393 0.83 CA12 (0.49) CA1CA2CA9CA12BRD4
SCHEMBL29006580 0.81 CA12 (0.51) CA1CA2CA9CA12HTR7
SCHEMBL16574040 0.81 CA2 (0.52) CA1CA2CA9CA12BRD4
SCHEMBL2308295 0.81 CA2 (0.56) CA1CA2CA9CA12BRD4
SCHEMBL3906960 0.80 CA2 (1.00) CA1CA2CA9CA12CA13
SCHEMBL26462963 0.80 PTGES2 (0.68) CA1CA2CA9CA12BRD4
SCHEMBL30494473 0.80 PTGES2 (0.68) CA1CA2CA9CA12BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-06 US claimed
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-01-13 US claimed
US-7759338-B2 Soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US claimed
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-03-13 US claimed
US-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-06 US disclosed
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-01-13 US disclosed
US-7759338-B2 Soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US disclosed
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-03-13 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 (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-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 CA1 1578/4885CA2 2637/4885CA9 4233/4885
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof GABRA4, BAD, GABRA1 CA1 1578/4885CA2 2637/4885CA9 4233/4885
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 CA1 1578/4885CA2 2637/4885CA9 4233/4885

“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.