SCHEMBL4158939

SCHEMBL4158939

Cc1ccc(F)cc1C(=O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
KEAP1 Q14145 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL31270828 0.82 CES2 (0.61) CES2CES1KMT2AHTTNPC1
SCHEMBL8566777 0.82 CES2 (0.61) CES2CES1KMT2AHTTNPC1
SCHEMBL4154656 0.82 KMT2A (0.44) CES2CES1KMT2AKEAP1ALDH1A1
SCHEMBL3814807 0.81 L3MBTL1 (0.56) CES2CES1KMT2AHTTNPC1
SCHEMBL1034975 0.80 HPGD (0.49) CES2CES1KMT2AKDM4EHPGD
SCHEMBL10389402 0.80 MEN1 (0.50) KMT2AHTTALDH1A1MEN1SMN1; SMN2
SCHEMBL14415777 0.79 CES2 (0.50) CES2CES1KMT2AHTTNPC1
SCHEMBL7452357 0.79 KEAP1 (0.61) CES2CES1KMT2AHTTNPC1
SCHEMBL31274973 0.79 CES2 (0.42) CES2CES1KMT2AHTTNPC1
SCHEMBL2288907 0.79 KMT2A (0.46) CES2CES1KMT2AHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 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 (2 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R CES2 1371/4885CES1 476/4885KMT2A 4088/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R CES2 1371/4885CES1 476/4885KMT2A 4088/4885

“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.