SCHEMBL9901145

SCHEMBL9901145

COCCN(C)C(=O)C(=O)N(C)C12CCC(F)(CC1)Cn1c2nc(C(=O)NCc2ccc(F)c(C)c2)c(O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
MMP13 P45452 10/20 0.36
KCNH2 Q12809 1/20 0.35
MMP10 P09238 5/20 0.34
MMP8 P22894 5/20 0.34
SCD O00767 1/20 0.32
KCNE1 P15382 1/20 0.31
CCR1 P32246 1/20 0.31
KCNQ1 P51787 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
MMP9 P14780 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL9901114 0.93 KCNH2 (0.37) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9901158 0.91 CYP2C9 (0.44) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9901392 0.90 CYP2C9 (0.37) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL53150 0.88 CYP2C9 (0.39) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9901236 0.88 CYP2C9 (0.36) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9901113 0.88 KCNH2 (0.38) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9904932 0.88 MMP13 (0.39) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL14212641 0.86 CYP2C9 (0.40) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9943051 0.85 CYP2C9 (0.38) CYP2C9MMP13KCNH2MMP10MMP8
SCHEMBL9905163 0.84 CYP2C9 (0.42) CYP2C9MMP13KCNH2MMP10MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649077-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-16 EP claimed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US claimed
WO-2012078834-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 WO claimed
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078834-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 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 (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-20120309698-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CYP2C9 602/4885MMP13 4137/4885KCNH2 3969/4885

“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.