SCHEMBL14212645

SCHEMBL14212645

COCC(=O)NCC12CCC(N(C)C(=O)C(=O)N(C)C)(CC1)c1nc(C(=O)NCc3ccc(F)c(C)c3)c(O)c(=O)n1C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.34
MMP13 P45452 8/20 0.34
MMP10 P09238 3/20 0.32
MMP8 P22894 3/20 0.32
KCNE1 P15382 1/20 0.32
CCR1 P32246 1/20 0.32
KCNQ1 P51787 1/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
SCD O00767 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
WDR5 P61964 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
SCHEMBL9943027 0.92 CYP2C9 (0.40) CYP2C9KCNH2MMP13MMP10MMP8
SCHEMBL9905163 0.91 CYP2C9 (0.42) CYP2C9KCNH2MMP13MMP10MMP8
SCHEMBL9905123 0.89 CYP2C9 (0.43) CYP2C9KCNH2MMP13MMP10MMP8
SCHEMBL9901013 0.89 CYP2C9 (0.43) CYP2C9KCNH2MMP13MMP10MMP8
SCHEMBL9943060 0.88 CYP2C9 (0.39) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL9942968 0.88 CYP2C9 (0.43) CYP2C9KCNH2MMP13MMP10MMP8
SCHEMBL9942952 0.88 CYP2C9 (0.43) CYP2C9KCNH2MMP13MMP10MMP8
SCHEMBL14212641 0.88 CYP2C9 (0.40) CYP2C9KCNH2MMP13MMP10MMP8
SCHEMBL9943062 0.87 CYP2C9 (0.39) CYP2C9KCNH2MMP13
SCHEMBL9943018 0.87 CYP2C9 (0.41) CYP2C9KCNH2MMP13MMP10MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 602/4885KCNH2 3969/4885MMP13 4137/4885

“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.