SCHEMBL4405887

SCHEMBL4405887

COc1ccc(F)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 5/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCG2 Q9UNQ0 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
SCHEMBL17374952 0.87 CPS1 (0.55) CPS1NPC1RAB9A
SCHEMBL28266357 0.83 EGFR (0.47) MAPT
SCHEMBL2258923 0.83 KDM4E (0.60) CPS1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL29228596 0.81 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21395373 0.81 NOS2 (0.48) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13387623 0.81 HPGD (0.48) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7941887 0.80 CPS1 (0.46) CPS1MAPTHTTNPSR1NPC1
SCHEMBL16355744 0.80 CSNK2A1 (0.38) CYP1A2CYP2C19MAPTHTTNPC1
SCHEMBL4688965 0.79 KDM4E (0.45) CPS1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL14505214 0.79 GAA (0.40) KDM4ECYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071426-A SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF 基因泰克公司 2018-12-21 CN disclosed
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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-20090318412-A1 Tricyclic heterocyclic compound and use thereof HTR2C, HTR2A, HTR5A CPS1 2888/4885KDM4E 2650/4885CYP1A2 142/4885

“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.