SCHEMBL2908944

SCHEMBL2908944

Cc1ncc(S(=O)(=O)O)n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.36
S1PR1 P21453 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
CDK2 P24941 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31

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
Hydrochloric Acid SCHEMBL27709943 0.98 CHRM5 (0.35) CHRM5S1PR1ALDH1A1LMNACA1
SCHEMBL4970649 0.76 S1PR1 (0.37) CHRM5S1PR1LMNACA1CA2
Sulfuric Acid SCHEMBL31265764 0.69 RORC (0.36) ALDH1A1LMNASMN1; SMN2MAPK1CYP3A4
SCHEMBL28199528 0.66 LMNA (0.33) LMNACA1CA2CA9SMN1; SMN2
SCHEMBL16632983 0.65 ALOX15 (0.38) ALDH1A1LMNASMN1; SMN2THRBTSHR
SCHEMBL2702083 0.65 IDO1 (0.36) CHRM5
Hydrochloric Acid SCHEMBL28261308 0.64 IDO1 (0.35) LMNAKDM4E
SCHEMBL21030319 0.62
SCHEMBL14672994 0.62 SMN1; SMN2 (0.42) ALDH1A1LMNASMN1; SMN2TSHRKDM4E
SCHEMBL14823456 0.62 CYP1A2 (0.40) LMNA

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-12-07 US claimed
US-20200354375-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-11-12 US claimed
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-07-02 US claimed
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP claimed
EP-3672951-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP claimed
CN-110944994-A Quinoxaline derivatives as adenosine receptor antagonists 默克专利股份公司 2020-03-31 CN claimed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO claimed
CN-101677548-A urotensin ii receptor antagonists JANSSEN PHARMACEUTICA NV 2010-03-24 CN claimed
EP-2161994-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-17 EP claimed
EP-2079701-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-22 EP claimed
CN-101410116-A Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-15 CN claimed
US-20080318973-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-25 US claimed
WO-2008153902-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-18 WO claimed
EP-1993554-A2 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-11-26 EP claimed
WO-2008043544-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-04-17 WO claimed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US claimed
WO-2007081995-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 CHRM5 4470/4885S1PR1 405/4885ALDH1A1 1065/4885
US-20200354375-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA1, P2RY1 CHRM5 1064/4885S1PR1 480/4885ALDH1A1 1536/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 CHRM5 3217/4885S1PR1 330/4885ALDH1A1 617/4885
US-11192899-B2 Quinoxaline derivatives as adenosine receptor antagonists ADORA2A, ADORA1, P2RY1 CHRM5 1064/4885S1PR1 480/4885ALDH1A1 1536/4885
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 CHRM5 4470/4885S1PR1 405/4885ALDH1A1 1065/4885
US-20080318973-A1 Urotensin II receptor antagonists UTS2R, BDKRB2, AGTR2 CHRM5 1050/4885S1PR1 863/4885ALDH1A1 2390/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 CHRM5 1236/4885S1PR1 244/4885ALDH1A1 2977/4885

“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.