Sugi Predict

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SCHEMBL9901141

SCHEMBL9901141

CN(C)C(=O)C(=O)NC12CCC(CO)(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.51
▸ KCNH2 Q12809 1/20 0.45
▸ KCNE1 P15382 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ KCNQ1 P51787 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ERCC1 P07992 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ ERCC4 Q92889 1/20 0.35
▸ CALCA P06881 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9942873 0.93 CYP2C9 (0.50) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL14212656 0.92 CYP2C9 (0.49) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL9901641 0.91 CYP2C9 (0.48) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL62449 0.90 CYP2C9 (0.52) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL9901008 0.90 CYP2C9 (0.52) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL9943023 0.90 CYP2C9 (0.52) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL9901023 0.90 CYP2C9 (0.41) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL9901252 0.90 CYP2C9 (0.48) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL9942967 0.90 CYP2C9 (0.48) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL14212584 0.87 CYP2C9 (0.52) CYP2C9KCNH2KCNE1CCR1KCNQ1

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
EP-2649077-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-16 — — EP 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
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 602/4885KCNH2 3969/4885KCNE1 4273/4885

“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.