SCHEMBL1115079

SCHEMBL1115079

NC(=O)Cc1cc(F)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.52
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
ICMT O60725 4/20 0.44
RIPK1 Q13546 1/20 0.44
DPP4 P27487 4/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MPO P05164 2/20 0.41
DPP7 Q9UHL4 2/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL1115269 0.84 MAPK8 (0.52) MAPK8CES2CES1ICMTRIPK1
SCHEMBL30148003 0.84 MAPK8 (0.52) MAPK8CES2CES1ICMTRIPK1
SCHEMBL892996 0.84 MAPK8 (0.46) MAPK8CES2CES1RIPK1DPP4
SCHEMBL6858298 0.83 CES2 (0.48) MAPK8CES2CES1RIPK1DPP4
Hydrochloric Acid SCHEMBL8894497 0.82 IDO1 (0.52) MAPK8CES2CES1ICMTRIPK1
SCHEMBL29471363 0.82 TSHR (0.53) MAPK8CES2CES1RIPK1PSEN1
SCHEMBL503667 0.82 TSHR (0.53) MAPK8CES2CES1RIPK1PSEN1
SCHEMBL28061383 0.82 CES2 (0.47) MAPK8CES2CES1RIPK1DPP4
SCHEMBL15524379 0.81 ICMT (0.43) MAPK8ICMTMPOSLC6A4
SCHEMBL29852214 0.81 ICMT (0.43) MAPK8ICMTMPOSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022135365-A1 DISUBSTITUTED CYCLOPENTANE KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-30 WO disclosed
WO-2019069327-A1 UNIFIED CELL DIFFERENTIATION PROTOCOL EYESTEM RESEARCH PRIVATE LIMITED (IN) 2019-04-11 WO disclosed
EP-2755949-B1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-10-21 EP disclosed
US-9090600-B2 Fungicidal 4-substituted-3-{phenyl[(heterocyclylmethoxy)imino]methyl}-1,2,4-oxadizol-5(4H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
EP-2278878-A1 2-ARYL GLYCINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2011-02-02 EP disclosed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 WO disclosed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US disclosed
US-4504595-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-03-12 US disclosed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 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 (1 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-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES CYP4X1, CYP4B1, CYP4Z1 MAPK8 3625/4885CES2 802/4885CES1 840/4885

“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.