SCHEMBL153129

SCHEMBL153129

Nc1ccc(S(=O)(=O)c2cc(N)ccc2S(N)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.56
TSHR P16473 3/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CA2 P00918 9/20 0.54
CA9 Q16790 8/20 0.54
CA1 P00915 8/20 0.54
CA12 O43570 6/20 0.54
CA14 Q9ULX7 4/20 0.54
CA4 P22748 2/20 0.54
USP2 O75604 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA13 Q8N1Q1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
AGO2 Q9UKV8 1/20 0.54
CA5B Q9Y2D0 1/20 0.54

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
SCHEMBL29388003 0.92 HTR6 (0.56) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL11331445 0.86 ALDH1A1 (0.50) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL11779771 0.82 HTR6 (0.61) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL7865326 0.81 HKDC1 (0.57) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL7190093 0.81 HTR6 (0.56) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL17774545 0.81 HKDC1 (0.57) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL1703357 0.80 HTR6 (0.60) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL17774709 0.80 HTR6 (0.62) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL4952927 0.79 HTR6 (0.67) HTR6TSHRLMNAMPOCYP3A4
SCHEMBL2118350 0.79 ALDH1A1 (0.55) HTR6TSHRLMNAMPOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131342-A1 Nitrosated and/or nitrosylated compounds, compositions and methods of use NITROMED, INC. (US) 2009-05-21 US claimed
EP-1793803-A2 CONVENIENTLY IMPLANTABLE SUSTAINED RELEASE DRUG COMPOSITIONS Ramscor, Inc. (US) 2007-06-13 EP claimed
US-7186753-B1 Pharmaceutical compounds NICOX S.A. (FR) 2007-03-06 US claimed
EP-1253924-B1 NITRATE SALTS OF ANTIMICROBIAL AGENTS NICOX SA (FR) 2006-04-19 EP claimed
WO-2006039336-A2 CONVENIENTLY IMPLANTABLE SUSTAINED RELEASE DRUG COMPOSITIONS RAMSCOR, INC. (US) 2006-04-13 WO claimed
US-20060073182-A1 Conveniently implantable sustained release drug compositions RAMSCOR, INC. 2006-04-06 US claimed
US-20030105066-A1 Nitrate salts of antimicrobial agents NICOX S.A. (FR) 2003-06-05 US claimed
JP-2003515526-A 2003-05-07 JP claimed
EP-0741570-B1 PREVENTING OR REDUCING PHOTOSENSITIVITY AND/OR PHOTOTOXICITY REACTIONS TO ANTIINFECTIVE MEDICATIONS SEARLE & CO (US) 2003-05-07 EP claimed
JP-2002541233-A 2002-12-03 JP claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
US-6172069-B1 CONTROLLING TIME OF ADMINISTERING G. D. SEARLE & COMPANY 2001-01-09 US claimed
WO-2000061549-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2000-10-19 WO claimed
WO-2000061537-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2000-10-19 WO claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
EP-0741570-A1 METHOD FOR PREVENTING OR REDUCING PHOTOSENSITIVITY AND/OR PHOTOTOXICITY REACTIONS TO MEDICATIONS G.D. SEARLE & CO. (US) 1996-11-13 EP claimed
WO-1995020387-A1 METHOD FOR PREVENTING OR REDUCING PHOTOSENSITIVITY AND/OR PHOTOTOXICITY REACTIONS TO MEDICATIONS G.D. SEARLE & CO. (US) 1995-08-03 WO claimed
EP-0572560-A4 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY. SHAPIRO HOWARD K (US) 1995-04-26 EP claimed
EP-0572560-A1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO, Howard, K. (US) 1993-12-08 EP claimed
WO-1992014456-A1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 1992-09-03 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 (2 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-20090131342-A1 Nitrosated and/or nitrosylated compounds, compositions and methods of use LTC4S, LTB4R2, LTB4R HTR6 2336/4885TSHR 2984/4885LMNA 3477/4885
US-20030105066-A1 Nitrate salts of antimicrobial agents NOS1, NOS3, NOS2 HTR6 4340/4885TSHR 4392/4885LMNA 4118/4885

“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.