SCHEMBL4603877

SCHEMBL4603877

CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.65
MAPT P10636 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MEN1 O00255 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
TSHR P16473 2/20 0.65
PTGS1 P23219 2/20 0.65
PTGS2 P35354 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 2/20 0.65
PTGES O14684 1/20 0.65
CYP2D6 P10635 1/20 0.65
ALOX15 P16050 1/20 0.65
CYP2C19 P33261 1/20 0.65
HSP90AA1 P07900 1/20 0.57
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MLNR O43193 1/20 0.49
MMP1 P03956 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
SCHEMBL9502667 0.87 HSP90AA1 (0.54) CYP19A1MAPTSMN1; SMN2MEN1CYP1A2
SCHEMBL9501613 0.84 HSP90AA1 (0.53) CYP19A1MAPTSMN1; SMN2MEN1CYP1A2
SCHEMBL9502701 0.82 HSP90AA1 (0.51) CYP19A1MAPTSMN1; SMN2MEN1CYP1A2
SCHEMBL9503492 0.80 CYP19A1 (0.62) CYP19A1MAPTSMN1; SMN2MEN1CYP1A2
SCHEMBL9501952 0.80 CYP19A1 (0.68) CYP19A1MAPTSMN1; SMN2MEN1CYP1A2
Ns-398 SCHEMBL214213 0.79 CYP19A1 (1.00) CYP19A1MAPTSMN1; SMN2MEN1CYP1A2
SCHEMBL9504735 0.79 CYP19A1 (0.61) CYP19A1MAPTSMN1; SMN2MEN1CYP1A2
SCHEMBL9504767 0.79 CYP19A1 (1.00) CYP19A1MAPTSMN1; SMN2MEN1CYP1A2
Ns-398 SCHEMBL29368077 0.79 CYP19A1 (1.00) CYP19A1MAPTSMN1; SMN2MEN1CYP1A2
Ns-398 SCHEMBL9505669 0.78 CYP19A1 (0.98) CYP19A1MAPTSMN1; SMN2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915992-A1 USE OF CYCLOOXYGENASE INHIBITORS AND ANTIMUSCARINIC AGENTS FOR THE TREATMENT OF INCONTINENCE Pharmacia Corporation (US) 2008-04-30 EP disclosed
EP-1689382-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BETA-3-ADRENOCEPTOR AGONIST AND AN AGENT INTERVENING IN THE PROSTAGLANDIN METABOLISM Boehringer Ingelheim International GmbH (DE) 2006-08-16 EP disclosed
WO-2005060955-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BETA-3-ADRENOCEPTOR AGONIST AND AN AGENT INTERVENING IN THE PROSTAGLANDIN METABOLISM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-07 WO disclosed
US-20050119239-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and an active substance which influences prostaglandin metabolism BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-02 US disclosed
EP-1476146-A1 USE OF CYCLOOXYGENASE INHIBITORS AND ANTIMUSCARINIC AGENTS FOR THE TREATMENT OF INCONTINENCE Pharmacia Corporation (US) 2004-11-17 EP disclosed
EP-1467765-A2 COMBINATION THERAPY FOR THE TREATMENT OF BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP disclosed
EP-1463500-A1 USE OF COX-2 INHIBITORS IN COMBINATION WITH ANTIVIRAL AGENTS FOR THE TREATMENT OF PAPILLOMA VIRUS INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2004-10-06 EP disclosed
US-20040152752-A1 Treatment for human papillomavirus PHARMACIA & UPJOHN COMPANY 2004-08-05 US disclosed
WO-2003101438-A1 TREATMENT FOR HUMAN PAPILLOMAVIRUS PHARMACIA & UPJOHN COMPANY (US) 2003-12-11 WO disclosed
US-20030211163-A1 Combination antiviral therapy PHARMACIA & UPJOHN COMPANY 2003-11-13 US disclosed
US-20030191051-A1 Combination therapy for the treatment of bacterial infections PHARMACIA & UPJOHN COMPANY 2003-10-09 US disclosed
US-20030191172-A1 Method of using cyclooxygenase inhibitors and antimuscarinic agents VERSI EBRAHIM (US) 2003-10-09 US disclosed
WO-2003070233-A1 USE OF CYCLOOXYGENASE INHIBITORS AND ANTIMUSCARINIC AGENTS FOR THE TREATMENT OF INCONTINENCE PHARMACIA CORPORATION (US) 2003-08-28 WO disclosed
WO-2003061704-A2 COMBINATION THERAPY FOR THE TREATMENT OF BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-07-31 WO disclosed
WO-2003059347-A1 USE OF COX-2 INHIBITORS IN COMBINATION WITH ANTIVIRAL AGENTS FOR THE TREATMENT OF PAPILLOMA VIRUS INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
EP-1282423-A2 PREVENTION OF INSULIN-DEPENDENT DIABETES, COMPLICATIONS THEREOF, OR ALLOGRAFT REJECTION BY INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY WITH NS398 OR PDTC Oklahoma Medical Research Foundation (US) 2003-02-12 EP disclosed
US-20030017148-A1 Prevention of insulin-dependent diabetes, complications thereof, or allograft rejection by inhibition of cyclooxygenase-2 activity OKLAHOMA MEDICAL RESEARCH FOUNDATION 2003-01-23 US disclosed
WO-2001085175-A2 PREVENTION OF INSULIN-DEPENDENT DIABETES, COMPLICATIONS THEREOF, OR ALLOGRAFT REJECTION BY INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY WITH NS398 OR PDTC OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2001-11-15 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 (5 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-20030211163-A1 Combination antiviral therapy EIF2AK2, ZC3HAV1, VHL CYP19A1 3705/4885MAPT 4530/4885SMN1; SMN2 4289/4885
US-20050119239-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and an active substance which influences prostaglandin metabolism ADRB3, ADRB2, ADRB1 CYP19A1 855/4885MAPT 2900/4885SMN1; SMN2 2211/4885
US-20030191051-A1 Combination therapy for the treatment of bacterial infections PTGS1, PTGES, PTGES3 CYP19A1 2386/4885MAPT 4458/4885SMN1; SMN2 4674/4885
US-20030191172-A1 Method of using cyclooxygenase inhibitors and antimuscarinic agents PTGS2, PTGES2, PTGS1 CYP19A1 624/4885MAPT 3765/4885SMN1; SMN2 2398/4885
US-20040152752-A1 Treatment for human papillomavirus TP53, POLI, VHL CYP19A1 1808/4885MAPT 2643/4885SMN1; SMN2 4193/4885

“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.