SCHEMBL2610951

SCHEMBL2610951

CC(=O)C(=O)c1cccs1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.74
CES1 P23141 2/20 0.74
DAO P14920 1/20 0.58
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
HDAC1 Q13547 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
HPGDS O60760 1/20 0.50
GSK3B P49841 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL1066873 0.85 CES2 (1.00) CES2CES1DAONPC1RAB9A
SCHEMBL14764287 0.81 CES2 (0.65) CES2CES1DAONPC1RAB9A
SCHEMBL3798 0.81
SCHEMBL9148741 0.81 CES2 (0.81) CES2CES1DAONPC1RAB9A
SCHEMBL1547793 0.81 CES2 (0.59) CES2CES1DAONPC1RAB9A
SCHEMBL1547792 0.81 CES2 (0.59) CES2CES1DAONPC1RAB9A
SCHEMBL71555 0.79 CES2 (0.77) CES2CES1DAONPC1RAB9A
SCHEMBL27678000 0.79
SCHEMBL9663918 0.78 CES2 (0.55) CES2CES1DAONPC1RAB9A
SCHEMBL1883541 0.77 CES2 (0.74) CES2CES1DAONPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912606-A Catalyst suitable for ethylene polymerization reaction and preparation method and application thereof 中国石油化工股份有限公司 2025-05-02 CN claimed
CN-119912606-A Catalyst suitable for ethylene polymerization reaction and preparation method and application thereof 中国石油化工股份有限公司 2025-05-02 CN disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-4138410-A Flavoring agent FIRMENICH & CIE (CH) 1979-02-06 US disclosed
US-4126618-A FLAVOR ADDITIVES FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1978-11-21 US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 US disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 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 (4 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-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 CES2 1947/4885CES1 536/4885DAO 2359/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 CES2 1947/4885CES1 536/4885DAO 2359/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 CES2 1947/4885CES1 536/4885DAO 2359/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CES2 1832/4885CES1 685/4885DAO 2552/4885

“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.