SCHEMBL8512862

SCHEMBL8512862

CS(=O)(=O)c1cc(C#N)nc(-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 1/20 0.46
CBFB Q13951 1/20 0.45
SCD O00767 1/20 0.42
SQOR Q9Y6N5 2/20 0.41
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL8623707 0.85 CCR1 (0.55) GPR39CBFBSCDKDM4AKDM4B
SCHEMBL31754560 0.78 GRM5 (0.51) SQORCCR1CCR5CCR8KDM4E
SCHEMBL9677009 0.76 CCR1 (0.51) GPR39CBFBSCDKDM4AKDM4B
SCHEMBL8512817 0.75 GPR39 (0.49) GPR39CBFBSCDKDM4AKDM4B
SCHEMBL602203 0.75 CCR1 (0.46) GPR39SQORCCR1CCR5CCR8
Caerulomycinonitrile SCHEMBL8515198 0.74 HSP90AA1 (0.54) SQORCCR1CCR5CCR8KDM4E
SCHEMBL1366371 0.74 SQOR (0.43) SQORCCR1CCR5CCR8KDM4E
SCHEMBL15402037 0.74 KDM4A (0.46) GPR39CBFBSCDSQORKDM4A
SCHEMBL31754519 0.72 METAP1 (0.43) SQORCCR1CCR5CCR8KDM4E
SCHEMBL994386 0.72 KDM4E (0.63) SQORCCR1CCR5CCR8KDM4E

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
EP-2643299-B1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA SA (ES) 2016-06-22 EP disclosed
EP-2643299-B1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA SA (ES) 2016-06-22 EP disclosed
US-9284296-B2 Bipyridine sulfonamide derivatives for the treatment of neurodegenerative diseases or conditions AUBERGINE PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-9284296-B2 Bipyridine sulfonamide derivatives for the treatment of neurodegenerative diseases or conditions AUBERGINE PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-20140005195-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA, S.A. (ES) 2014-01-02 US disclosed
EP-2643299-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS Noscira, S.A. (ES) 2013-10-02 EP disclosed
WO-2012069428-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA, S.A. (ES) 2012-05-31 WO disclosed
WO-2012069428-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA, S.A. (ES) 2012-05-31 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-20140005195-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS SNCA, PSEN2, PSEN1 GPR39 1980/4885CBFB 2133/4885SCD 1127/4885

“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.