SCHEMBL14082018

SCHEMBL14082018

O=[SH](=O)c1cc(Cl)sc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
GSK3B P49841 1/20 0.38
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
CDK7 P50613 1/20 0.30
CCNH P51946 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK6 Q00534 1/20 0.30

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
SCHEMBL27768755 0.76 DAO (0.32) DAO
SCHEMBL17472742 0.67 GSK3B (0.39) DAOGSK3BPKMKDM4EMAPT
SCHEMBL9255277 0.64
SCHEMBL14082615 0.60 DAO (0.41) DAOGSK3B
SCHEMBL15351859 0.60 AHR (0.38) KDM4EMAPTHPGDMAPK1
SCHEMBL155079 0.60
SCHEMBL1177426 0.60
SCHEMBL10488986 0.60
SCHEMBL16215277 0.60
SCHEMBL17140080 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997966-A1 Naphthyl Sulfonamide Pyrrolidine Derivatives as KEAP-1 Modulators for the Treatment of Diabetes, Obesity, Dyslipidemia and Related Disorders SANOFI (FR) 2016-03-23 EP disclosed
US-9206130-B2 Quinoline derivatives as AXL kinase inhibitors MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-08 US disclosed
US-9206130-B2 Quinoline derivatives as AXL kinase inhibitors MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-08 US disclosed
US-20110092503-A1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2011-04-21 US disclosed
US-20110092503-A1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2011-04-21 US disclosed
WO-2008115385-A2 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 WO disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 US disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN 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-20110092503-A1 QUINOLINE DERIVATIVES AS AXL KINASE INHIBITORS AXL, FLT3, TYRO3 DAO 2310/4885GSK3B 642/4885PKM 2027/4885

“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.