SCHEMBL2870874

SCHEMBL2870874

CC(C)(C)c1c[c]ccc1Cl

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 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
SCHEMBL15018272 0.83 MEN1 (0.31)
SCHEMBL28609060 0.83 AR (0.31)
SCHEMBL3693169 0.82 CA2 (0.30) CA2
SCHEMBL5928972 0.79 TSHR (0.38)
SCHEMBL677730 0.78 CA2 (0.33) CA2
SCHEMBL103466 0.77 IDO1 (0.35)
SCHEMBL900847 0.77
SCHEMBL2873786 0.76 GABRA1 (0.37) CA2
SCHEMBL29084727 0.76 CA2 (0.32) CA2
SCHEMBL6761318 0.73 CA2 (0.30) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753935-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2020-12-23 EP claimed
US-20200205406-A1 MICROBIOCIDAL PHENYLAMIDINE DERIVATIVES WITH IMPROVED PLANT SAFETY PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2020-07-02 US claimed
CN-105814021-B Substituted nicotinamide derivatives as kinase inhibitors 阿勒根公司 2020-03-13 CN claimed
EP-3599852-A1 MICROBIOCIDAL PHENYLAMIDINE DERIVATIVES WITH IMPROVED PLANT SAFETY PROPERTIES Syngenta Participations AG (CH) 2020-02-05 EP claimed
WO-2018178057-A1 MICROBIOCIDAL PHENYLAMIDINE DERIVATIVES WITH IMPROVED PLANT SAFETY PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2018-10-04 WO claimed
EP-3080084-B1 SUBSTITUTED NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2018-06-13 EP claimed
EP-3080084-A1 SUBSTITUTED NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2016-10-19 EP claimed
EP-3080105-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2016-10-19 EP claimed
CN-105814021-A Substituted nicotinamide derivatives as kinase inhibitors 阿勒根公司 2016-07-27 CN claimed
US-20160194311-A1 SUBSTITUTED NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. 2016-07-07 US claimed
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-15 US claimed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO claimed
WO-2006010095-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS INC. (US) 2006-01-26 WO claimed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US claimed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO claimed
EP-0194562-B1 FUNGICIDAL COMPOSITION TOSOH CORPORATION (JP) 1990-10-03 EP claimed

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-20200205406-A1 MICROBIOCIDAL PHENYLAMIDINE DERIVATIVES WITH IMPROVED PLANT SAFETY PROPERTIES ARG1, MSR1, PADI1 CA2 3178/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP CA2 3726/4885
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE CA2 1846/4885
US-20160194311-A1 SUBSTITUTED NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS NADK, NME2, NME1 CA2 2171/4885
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ASPH, DNPEP, APP CA2 1642/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP CA2 3726/4885

“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.