SCHEMBL3717934

SCHEMBL3717934

Cc1c(B2OC(C)(C)C(C)(C)O2)ccc(S(N)(=O)=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.45
CA2 P00918 13/20 0.45
CA9 Q16790 13/20 0.45
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
ALDH1A1 P00352 1/20 0.36
LPL P06858 3/20 0.34
LIPG Q9Y5X9 3/20 0.34
GAA P10253 1/20 0.33
JAK2 O60674 1/20 0.32
BTK Q06187 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL12703333 0.80 LPL (0.42) CA1CA2CA9CA12CA3
SCHEMBL31258294 0.80 CA2 (0.40) CA1CA2CA9CA12CA3
SCHEMBL15002402 0.79 CA1 (0.38) CA1CA2CA9CA12CA3
SCHEMBL17441884 0.78 LDHA (0.47) CA1CA2CA9CA12CA3
SCHEMBL31127486 0.77 CA2 (0.44) CA1CA2CA9CA12CA3
SCHEMBL6608093 0.77 CA2 (0.44) CA1CA2CA9CA12CA3
SCHEMBL12616496 0.75 LPL (0.36) CA1CA2CA9CA12CA3
SCHEMBL31235187 0.75 CA2 (0.43) CA1CA2CA9CA12CA3
SCHEMBL17442284 0.74 CA1 (0.53) CA1CA2CA9CA12CA3
SCHEMBL23043571 0.74 ALDH1A1 (0.52) CA1CA2CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION PFIZER INC. 2023-08-31 US disclosed
EP-2922540-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. Hoffmann-La Roche AG (CH) 2015-09-30 EP disclosed
WO-2014079787-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 WO disclosed
EP-1768982-A2 PYROLO [2,3-D] PYRIMIDINES THAT MODULATE ACK1 AND LCK ACTIVITY Amgen Inc. (US) 2007-04-04 EP disclosed
WO-2007025575-A1 O-HYDROXY- AND O-AMINO BENZAMIDE DERIVATIVES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-08 WO disclosed
EP-1703905-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-27 EP disclosed
WO-2006004703-A2 PYRROLO[2,3-d]PYRIMIDINES THAT MODULATE ACK1 AND LCK ACTIVITY AMGEN INC. (US) 2006-01-12 WO disclosed
WO-2005067923-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-28 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-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION CNR1, CNR2, SIGMAR1 CA1 1706/4885CA2 1302/4885CA9 1529/4885

“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.