Sugi Predict

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SCHEMBL52811

SCHEMBL52811

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.46
▸ KCNH2 Q12809 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CXCR3 P49682 4/20 0.35
▸ SCD O00767 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ CACNA1G O43497 2/20 0.33
▸ CACNA1H O95180 2/20 0.33
▸ CACNA1I Q9P0X4 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ MET P08581 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32

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
SCHEMBL52059 0.94 CYP2C9 (0.45) CYP2C9KCNH2KDM4EALDH1A1LMNA
SCHEMBL52913 0.93 CYP2C9 (0.44) CYP2C9KCNH2CXCR3MMP13
SCHEMBL52060 0.93 CYP2C9 (0.44) CYP2C9KCNH2CXCR3
SCHEMBL52645 0.93 CYP2C9 (0.44) CYP2C9KCNH2CXCR3
SCHEMBL52488 0.93 CYP2C9 (0.44) CYP2C9KCNH2
SCHEMBL53296 0.92 CYP2C9 (0.43) CYP2C9KCNH2MMP13P2RX7
SCHEMBL52472 0.92 CYP2C9 (0.43) CYP2C9KCNH2LMNAMAPTPDE10A
SCHEMBL52664 0.91 CYP2C9 (0.55) CYP2C9KCNH2LMNAMAPT
SCHEMBL52566 0.91 CYP2C9 (0.43) CYP2C9KCNH2CXCR3
SCHEMBL64278 0.91 CYP2C9 (0.43) CYP2C9KCNH2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 — — EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 — — US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 — — 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CYP2C9 602/4885KCNH2 3969/4885KDM4E 1609/4885

“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.