SCHEMBL4574863

SCHEMBL4574863

NS(=O)(=O)c1ccc(-c2cccnc2-c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.73
PTGS1 P23219 5/20 0.73
CA1 P00915 13/20 0.58
CA2 P00918 13/20 0.58
CA12 O43570 8/20 0.58
CA9 Q16790 8/20 0.58
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MT-CO2 P00403 1/20 0.49
LMNA P02545 1/20 0.49
CA3 P07451 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA2B P18089 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL30355861 1.00 PTGS2 (0.73) PTGS2PTGS1CA1CA2CA12
SCHEMBL8442044 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4575215 0.81 CA2 (0.79) PTGS2PTGS1CA1CA2CA12
Hydrazine SCHEMBL29197518 0.81 PTGS2 (0.62) PTGS2PTGS1ADORA1
SCHEMBL37278 0.81 PTGS2 (0.66) PTGS2PTGS1ADORA1
SCHEMBL6835856 0.80 PTGS2 (0.52) PTGS2PTGS1CA1CA2CA12
SCHEMBL6839563 0.80 PTGS2 (0.52) PTGS2PTGS1CA1CA2CA12
Ammonia Solution, Strong SCHEMBL20599554 0.79 PTGS2 (0.64) PTGS2PTGS1ADORA1
SCHEMBL29227428 0.79 PTGS2 (0.64) PTGS2PTGS1ADORA1
Phosphine SCHEMBL29108837 0.79 PTGS2 (0.64) PTGS2PTGS1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414526-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER Pharmacia Corporation (US) 2004-05-06 EP claimed
EP-1377298-A2 COMBINED METHOD FOR TREATING HORMONO-DEPENDENT DISORDERS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
WO-2002085459-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-31 WO claimed
WO-2002072106-A2 COMBINED METHOD FOR TREATING HORMONO-DEPENDENT DISORDERS WITH EXEMESTANE PHARMACIA ITALIA SPA (IT) 2002-09-19 WO claimed
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2002-08-01 US claimed
EP-1140192-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000038730-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
US-20260027079-A1 CANNABINOID ACID ESTER COMPOSITIONS AND USES THEREOF EPM IP INC (US) 2026-01-29 US disclosed
CN-113840598-B Cannabinoid acid ester compositions and uses thereof EPM (IP)公司 2024-07-05 CN disclosed
US-20230202964-A1 CANNABIGEROLIC ACID (CDGA) DERIVATIVES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2023-06-29 US disclosed
US-20230192588-A1 CANNABIDIOLIC ACID (CBDA) DERIVATIVES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2023-06-22 US disclosed
EP-4161900-A1 CANNABIDIOLIC ACID (CBDA) DERIVATIVES AND USES THEREOF Yissum Research and Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2023-04-12 EP disclosed
EP-4161901-A1 CANNABIGEROLIC ACID (CBGA) DERIVATIVES AND USES THEREOF Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2023-04-12 EP disclosed
EP-1140194-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
EP-1140192-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
EP-1140179-A2 USE OF A CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
WO-2001000229-A1 COMBINATION OF TUMORS NECROCIS FACTOR (TNF) ANTAGONISTS AND COX-2 INHIBITORS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-01-04 WO disclosed
WO-2000038730-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038786-A2 USE OF CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 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 (4 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-20230192588-A1 CANNABIDIOLIC ACID (CBDA) DERIVATIVES AND USES THEREOF CNR2, CNR1, GPR18 PTGS2 1908/4885PTGS1 1885/4885CA1 2945/4885
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer TOP2A, TOP2B, TOP1 PTGS2 4/4885PTGS1 6/4885CA1 1027/4885
US-20260027079-A1 CANNABINOID ACID ESTER COMPOSITIONS AND USES THEREOF CNR2, CNR1, FAAH PTGS2 2555/4885PTGS1 2010/4885CA1 4118/4885
US-20230202964-A1 CANNABIGEROLIC ACID (CDGA) DERIVATIVES AND USES THEREOF CNR2, CNR1, GPR18 PTGS2 411/4885PTGS1 495/4885CA1 2646/4885

“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.