Sugi Predict

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SCHEMBL9901778

SCHEMBL9901778

CN(C)C(=O)C(=O)NC12CCC(F)(CC1)Cn1c2nc(C(=O)NCc2ccc(F)c(Cl)c2)c(O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.42
▸ KCNH2 Q12809 1/20 0.37
▸ MMP13 P45452 2/20 0.34
▸ MAPK1 P28482 6/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ FSCN1 Q16658 1/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ CNR2 P34972 3/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ PDE5A O76074 1/20 0.31
▸ PTGER4 P35408 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
SCHEMBL9901256 0.92 CYP2C9 (0.42) CYP2C9KCNH2MMP13WDR5
SCHEMBL9900952 0.91 CYP2C9 (0.42) CYP2C9KCNH2CNR1
SCHEMBL14234843 0.91 CYP2C9 (0.42) CYP2C9KCNH2
SCHEMBL9942988 0.91 CYP2C9 (0.40) CYP2C9KCNH2MMP13MAPK1DGAT1
SCHEMBL9901008 0.89 CYP2C9 (0.52) CYP2C9KCNH2
SCHEMBL14234678 0.88 CYP2C9 (0.43) CYP2C9KCNH2MAPK1
SCHEMBL52913 0.87 CYP2C9 (0.44) CYP2C9KCNH2MMP13MAPK1DGAT1
SCHEMBL9901792 0.87 CYP2C9 (0.44) CYP2C9KCNH2MMP13MAPK1DGAT1
SCHEMBL9904816 0.86 CYP2C9 (0.39) CYP2C9KCNH2MMP13WDR5
SCHEMBL9901237 0.85 P2RX7 (0.37) CYP2C9

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 11 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
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 3969/4885MMP13 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.