SCHEMBL2465758

SCHEMBL2465758

FC(F)(F)NC(=S)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
CYP3A4 P08684 2/20 0.64
TAS2R38 P59533 1/20 0.64
HSD17B10 Q99714 1/20 0.64
GAA P10253 8/20 0.59
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
NOX1 Q9Y5S8 3/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAOA P21397 3/20 0.53

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
SCHEMBL3534972 0.80 MAPT (0.58) ALDH1A1GAAKMT2AMEN1NOX1
SCHEMBL132620 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
SCHEMBL3067730 0.79 GAA (0.86) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
SCHEMBL8956322 0.77 ALDH1A1 (0.94) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
SCHEMBL9470190 0.77 ALDH1A1 (0.94) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
SCHEMBL17956747 0.76 KMT2A (0.69) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
SCHEMBL28438914 0.76 IDO1 (0.62) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL16513250 0.76 ALDH1A1 (0.73) ALDH1A1CYP3A4TAS2R38HSD17B10GAA
SCHEMBL1465857 0.75 SMN1; SMN2 (0.64) ALDH1A1GAAKMT2AMEN1RAB9A
SCHEMBL730314 0.75 ALDH1A1 (0.80) ALDH1A1CYP3A4TAS2R38HSD17B10GAA

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
CN-111410283-A Agent for removing chloride ions in strongly acidic copper-containing wastewater and method for removing chloride by using same 中国科学院生态环境研究中心 2020-07-14 CN claimed
CN-111410283-A Agent for removing chloride ions in strongly acidic copper-containing wastewater and method for removing chloride by using same 中国科学院生态环境研究中心 2020-07-14 CN disclosed
EP-2550266-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTICS SOLUTIONS INC (US) 2018-05-09 EP disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 US disclosed
CN-102770479-B Chloro-substituted polyetherimides having improved relative thermal index SABIC INNOVATIVE PLASTICS IP 2014-05-21 CN disclosed
EP-2550266-A2 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION Amitech Therapeutics Solutions, Inc. (US) 2013-01-30 EP disclosed
CN-102770479-A Chloro-substituted polyetherimides having improved relative thermal index SABIC INNOVATIVE PLASTICS IP 2012-11-07 CN disclosed
WO-2011119894-A2 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION KINAGEN, INC (US) 2011-09-29 WO 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-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 ALDH1A1 3693/4885CYP3A4 4260/4885TAS2R38 3982/4885

“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.