SCHEMBL2336364

SCHEMBL2336364

Cc1cc(C(F)(F)F)cc(C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TACR1 P25103 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
GRM5 P41594 3/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KIF11 P52732 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL29349713 1.00 MBOAT4 (0.42) MBOAT4CTSSCTSKL3MBTL1TACR1
SCHEMBL3566772 0.80 KIF11 (0.50) CTSSCTSKKCNH2KDM4EKIF11
SCHEMBL10025587 0.79 HSP90AA1 (0.46) HSP90AA1HSP90AB1
SCHEMBL31297895 0.78 CTSS (0.42) MBOAT4CTSSCTSKTACR1SLC6A4
SCHEMBL2336311 0.78 CTSS (0.42) MBOAT4CTSSCTSKTACR1SLC6A4
SCHEMBL28046956 0.77 MBOAT4 (0.42) MBOAT4CTSSCTSKTACR1SLC6A4
SCHEMBL19837606 0.77 CTSS (0.41) MBOAT4CTSSCTSKTACR1SLC6A4
SCHEMBL2335140 0.77 CTSS (0.41) MBOAT4CTSSCTSKTACR1SLC6A4
SCHEMBL26418878 0.77 CYP3A4 (0.40) MBOAT4CTSSCTSKTACR1SLC6A4
SCHEMBL13691403 0.74 CTSS (0.37) MBOAT4CTSSCTSKTACR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713313-B2 GLS1 inhibitors for treating disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-01 US disclosed
US-11713313-B2 GLS1 inhibitors for treating disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-01 US disclosed
WO-2021133563-A1 SPIROCYCLIC PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-07-01 WO disclosed
US-20210122744-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-04-29 US disclosed
EP-3494120-B1 OXADIAZOLOPYRIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-17 EP disclosed
US-10738043-B2 GLS1 inhibitors for treating disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-08-11 US disclosed
EP-3316887-B1 GLS1 INHIBITORS FOR TREATING DISEASE UNIV TEXAS (US) 2020-04-08 EP disclosed
US-20190031651-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-01-31 US disclosed
WO-2018024653-A1 OXADIAZOLOPYRIDINE DERIVATES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-08 WO disclosed
US-20170001996-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-01-05 US disclosed
EP-2215086-B1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
EP-2215086-B1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
EP-2215086-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009066786-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 WO disclosed
WO-2009066786-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 WO disclosed
US-20040116480-A1 Oxime ether compound and agricultural or horticultural bactericide NIPPON SODA CO., LTD. (JP) 2004-06-17 US disclosed
EP-1362850-A1 OXIME ETHER COMPOUND AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE NIPPON SODA CO., LTD. (JP) 2003-11-19 EP 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 (6 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-20170001996-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 MBOAT4 1152/4885CTSS 836/4885CTSK 2313/4885
US-10738043-B2 GLS1 inhibitors for treating disease GLS2, GLS, GLG1 MBOAT4 1152/4885CTSS 836/4885CTSK 2313/4885
US-20190031651-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 MBOAT4 1152/4885CTSS 836/4885CTSK 2313/4885
US-20210122744-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 MBOAT4 1152/4885CTSS 836/4885CTSK 2313/4885
US-11713313-B2 GLS1 inhibitors for treating disease GLS2, GLS, GLG1 MBOAT4 1152/4885CTSS 836/4885CTSK 2313/4885
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST C5, PRDX1, PLPBP MBOAT4 4694/4885CTSS 1059/4885CTSK 1043/4885

“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.