SCHEMBL517119

SCHEMBL517119

O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PPARG P37231 2/20 0.55
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
F2 P00734 2/20 0.52
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL29132395 0.98 CYP19A1 (0.55) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL516961 0.84 NPC1 (0.59) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL27915152 0.84 CYP19A1 (0.56) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL4147377 0.84 CYP19A1 (0.56) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL1911780 0.84 CA1 (0.70) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL9818507 0.83 CA2 (0.72) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL4158621 0.76 CA12 (0.51) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL12124985 0.75 NPC1 (0.75) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL6741892 0.75 CYP19A1 (0.64) CYP19A1NPC1RAB9AKDM4EMEN1
SCHEMBL27457724 0.75 ALDH1A1 (0.43) KDM4EMAPTALDH1A1LMNACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP disclosed
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP disclosed
US-20140227208-A1 COSMETIC COMPOSITIONS CONTAINING SUBSTITUTED AZOLE AND METHODS FOR ALLEVIATING MECHANICALLY-INDUCED SKIN INFLAMMATION THE PROCTER & GAMBLE COMPANY (US) 2014-08-14 US disclosed
US-20140227208-A1 COSMETIC COMPOSITIONS CONTAINING SUBSTITUTED AZOLE AND METHODS FOR ALLEVIATING MECHANICALLY-INDUCED SKIN INFLAMMATION THE PROCTER & GAMBLE COMPANY (US) 2014-08-14 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
EP-0121495-B1 MONOAZO DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-12-17 EP disclosed
EP-0133270-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1985-02-20 EP disclosed
EP-0121495-A1 Monoazo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1984-10-10 EP disclosed
EP-0119441-A2 Reactive dyes with substituted 4-fluoropyridaz-6-one groups BASF Aktiengesellschaft (DE) 1984-09-26 EP disclosed
EP-0031099-B1 COMPOUNDS WITH REACTIVE RESTS AND THEIR USE IN DYEING FIBRES BASF Aktiengesellschaft (DE) 1984-07-18 EP disclosed
EP-0031099-A2 Compounds with reactive rests and their use in dyeing fibres BASF Aktiengesellschaft (DE) 1981-07-01 EP disclosed
EP-0013609-A1 Water-soluble monoazo dyes of the benzene azo indole series, their preparation and their application for the colouration of polyamide textile materials IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-07-23 EP disclosed
US-4058517-A Preparation of a concentrated solution of an anionic azo dye containing a sulfonic acid group BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-11-15 US disclosed
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed
US-3956267-A Indole-containing disazo dyestuffs having a sulfatoalkyleneoxy-substituent BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US 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 (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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CYP19A1 359/4885NPC1 274/4885RAB9A 4359/4885
US-20140227208-A1 COSMETIC COMPOSITIONS CONTAINING SUBSTITUTED AZOLE AND METHODS FOR ALLEVIATING MECHANICALLY-INDUCED SKIN INFLAMMATION CUTA, KRT18, IL33 CYP19A1 355/4885NPC1 4716/4885RAB9A 4806/4885

“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.