SCHEMBL3561045

SCHEMBL3561045

CCC(O)(CC)c1cc(-c2ncc(OC)c3c(C(=O)C(=O)OC)c[nH]c23)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.35
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SYK P43405 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL3565179 0.92 CYP2C9 (0.37) CYP2C9MEN1GAAMAPTKMT2A
SCHEMBL10326630 0.76 CYP2C9 (0.33) CYP2C9SYK
SCHEMBL1472512 0.75 CYP2C9 (0.38) CYP2C9SYKCYP3A4CYP1A2CYP2C8
SCHEMBL1472515 0.75 CYP2C9 (0.43) CYP2C9MEN1GAAMAPTKMT2A
SCHEMBL3557744 0.75 CYP2C9 (0.42) CYP2C9MEN1MAPTKMT2ACYP3A4
SCHEMBL4070811 0.74 CYP2C9 (0.42) CYP2C9SYKCYP3A4CYP1A2CYP2C8
SCHEMBL13899210 0.72 CYP2C9 (0.44) CYP2C9SYKCYP3A4CYP1A2CYP2C8
SCHEMBL13119403 0.72 CYP2C9 (0.57) CYP2C9SYKCYP3A4CYP1A2CYP2C8
SCHEMBL1473243 0.71 CYP2C9 (0.39) CYP2C9SYKCYP3A4CYP1A2CYP2C8
SCHEMBL3933553 0.71 CYP2C9 (0.43) CYP2C9SYKCYP3A4CYP1A2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 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-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS CYP2C9 3136/4885MEN1 4843/4885GAA 505/4885

“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.