SCHEMBL114462

SCHEMBL114462

NC(=O)OCc1cccc2c1C(S(=O)(=O)O)c1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
KMT2A Q03164 2/20 0.35
EPHX2 P34913 1/20 0.33
FABP7 O15540 1/20 0.32
FABP3 P05413 1/20 0.32
FABP5 Q01469 1/20 0.32
POLB P06746 1/20 0.32
PPIA P62937 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1934600 0.87 ALDH1A1 (0.40) CA1CA2KMT2AEPHX2FABP7
SCHEMBL1456494 0.82 CA1 (0.33) CA1CA2
SCHEMBL8697389 0.80 AKR1B1 (0.41) PPIACYP1A2MAPT
SCHEMBL5818114 0.79 CA1 (0.33) CA1CA2PPIACYP1A2
SCHEMBL5917355 0.77 CA1 (0.32) CA1CA2PPIACYP1A2CYP2D6
SCHEMBL7875378 0.77 SMN1; SMN2 (0.37) SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2587914 0.76 PPIA (0.40) KMT2AFABP7FABP3FABP5PPIA
SCHEMBL5488253 0.76 CA1 (0.37) CA1CA2PPIA
SCHEMBL3165966 0.71 TTR (0.35) CA1CA2POLBPPIASMN1; SMN2
SCHEMBL45391 0.71 HTR7 (0.36) CA1CA2KMT2APOLBNPSR1

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 3325 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 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
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-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
US-8759516-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-06-24 US claimed
US-20140039186-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-02-06 US claimed
US-20130304089-A1 PERYLENEQUINONE DERIVATIVES AND USES THEREOF QUEST PHARMATECH INC. (CA) 2013-11-14 US claimed
EP-0261283-B2 Amino-derivatized phosphite and phosphate linking agents, phosphoramidite precursors and useful conjugates thereof APPLIED BIOSYSTEMS (US) 1995-04-19 EP claimed
US-5258538-A 2,3-disubstituted-1,3,2-oxazaphosphacycloalkanes as nucleic acid linking agents APPLIED BIOSYSTEMS, INC. (US) 1993-11-02 US claimed
US-5212304-A Amino-derivatized phosphoramidite linking agents APPLIED BIOSYSTEMS, INC. (US) 1993-05-18 US claimed
EP-0261283-A1 Amino-derivatized phosphite and phosphate linking agents, phosphoramidite precursors and useful conjugates thereof APPLIED BIOSYSTEMS, INC. (US) 1988-03-30 EP claimed
WO-1988002004-A1 AMINO-DERIVATIZED PHOSPHITE AND PHOSPHATE LINKING AGENTS, PHOSPHORAMIDITE PRECURSORS, AND USEFUL CONJUGATES APPLIED BIOSYSTEMS, INC. (US) 1988-03-24 WO claimed