SCHEMBL10196835

SCHEMBL10196835

Cc1ccc(CN2CCS(=O)(=O)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ ALDH1A1 P00352 4/20 0.59
▸ LMNA P02545 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CXCR4 P61073 1/20 0.49
▸ LTA4H P09960 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
SCHEMBL13982034 0.85 KMT2A (0.74) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL25537483 0.85 KMT2A (0.73) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL13595130 0.82 MEN1 (0.70) KMT2AMEN1ALDH1A1NPC1MAPT
SCHEMBL27098679 0.82 RAB9A (0.78) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL7989269 0.82 LMNA (0.83) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL11356824 0.82 LMNA (0.83) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL1045922 0.82 LMNA (0.83) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL7989530 0.82 LMNA (0.83) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL2029947 0.81 KMT2A (0.69) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL2479586 0.81 KMT2A (0.69) KMT2AMEN1ALDH1A1LMNANPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023011573-A1 AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 — — WO disclosed
US-20180215780-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS DFH THERAPEUTICS, INC. 2018-08-02 — — US disclosed
WO-2017143014-A1 JAK INHIBITORS AND USES THEREOF KIM BRIAN (US) 2017-08-24 — — WO disclosed
US-20170008921-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-01-12 — — US disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
US-20150119395-A1 NOVEL TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2015-04-30 — — US disclosed
US-20150051203-A1 TRIAZOLE DERIVATIVES AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP. 2015-02-19 — — US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — WO disclosed
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 — — 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 (5 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-20150119395-A1 NOVEL TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P KMT2A 3635/4885MEN1 4564/4885ALDH1A1 3339/4885
US-20150051203-A1 TRIAZOLE DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P KMT2A 3629/4885MEN1 4146/4885ALDH1A1 2621/4885
US-20170008921-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS ERG28, CCR3, ACBD3 KMT2A 2857/4885MEN1 4454/4885ALDH1A1 3909/4885
US-20180215780-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS ERG28, CCR3, ACBD3 KMT2A 3143/4885MEN1 4314/4885ALDH1A1 3486/4885
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE ACE, SARS1, ACE2 KMT2A 4529/4885MEN1 4229/4885ALDH1A1 1957/4885

“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.

Send feedback