SCHEMBL112491

SCHEMBL112491

Cc1c(C)c(S(N)(=O)=O)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
TSHR P16473 1/20 0.39
PLG P00747 2/20 0.37
F10 P00742 1/20 0.37
PLAU P00749 1/20 0.37
KLKB1 P03952 1/20 0.37
F2 P00734 1/20 0.34
LMNA P02545 2/20 0.33
PDE4D Q08499 1/20 0.33
CCR5 P51681 1/20 0.33
HPGD P15428 1/20 0.33
PDPK1 O15530 1/20 0.33
PHLPP1 O60346 1/20 0.33
AKT1 P31749 1/20 0.33
ILK Q13418 1/20 0.33
NFE2L2 Q16236 1/20 0.33
IDO1 P14902 2/20 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
SCHEMBL29400649 1.00 CYP1A2 (0.39) CYP1A2CYP3A4PTGS1PTGS2TSHR
SCHEMBL14540298 0.94 CYP1A2 (0.36) CYP1A2CYP3A4PTGS1PTGS2TSHR
SCHEMBL8294965 0.86 CYP1A2 (0.43) CYP1A2CYP3A4PTGS1PTGS2TSHR
Hydrazine SCHEMBL22634091 0.85 CYP1A2 (0.38) CYP1A2CYP3A4PTGS1PTGS2TSHR
SCHEMBL29402889 0.84 CYP1A2 (0.39) CYP1A2CYP3A4PTGS1PTGS2TSHR
SCHEMBL838416 0.84 CYP1A2 (0.39) CYP1A2CYP3A4PTGS1PTGS2TSHR
SCHEMBL29788426 0.84 CYP1A2 (0.39) CYP1A2CYP3A4PTGS1PTGS2TSHR
SCHEMBL4434438 0.84 CYP1A2 (0.39) CYP1A2CYP3A4PTGS1PTGS2TSHR
SCHEMBL8531015 0.84 CYP1A2 (0.39) CYP1A2CYP3A4PTGS1PTGS2TSHR
SCHEMBL4530181 0.84 PTGS1 (0.42) CYP1A2CYP3A4PTGS1PTGS2TSHR

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

Appears in 3580 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060334-B2 3-substituted phenazine derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-13 US claimed
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
US-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 US claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3209648-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2020-03-11 EP claimed
US-10112957-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-10-30 US claimed
US-9856225-B2 Substituted phenazines as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-01-02 US claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US claimed
EP-0694041-A1 A PROCESS AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS CONTAINING N-ALPHA-METHYLARGININE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-31 EP claimed
WO-1994022911-A2 A PROCESS AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS CONTAINING Nα-METHYLARGININE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
US-12637453-B2 Pyrazolopyridine inhibitors of c-Jun-n-Terminal kinases and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-05-26 US disclosed
WO-1994022911-A2 A PROCESS AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS CONTAINING Nα-METHYLARGININE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed