Sugi Predict

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SCHEMBL52672

SCHEMBL52672

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.48
▸ KCNH2 Q12809 1/20 0.41
▸ SCD O00767 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CXCR3 P49682 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CACNA1G O43497 3/20 0.33
▸ CACNA1H O95180 3/20 0.33
▸ CACNA1I Q9P0X4 3/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ KCNE1 P15382 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ KCNQ1 P51787 1/20 0.33
▸ MET P08581 1/20 0.33
▸ NAMPT P43490 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
SCHEMBL51612 0.94 CYP2C9 (0.47) CYP2C9KCNH2SCDKDM4EALDH1A1
SCHEMBL52498 0.93 CYP2C9 (0.47) CYP2C9KCNH2CXCR3MMP13KCNE1
SCHEMBL52062 0.92 CYP2C9 (0.46) CYP2C9KCNH2LMNAMAPTMMP13
SCHEMBL53197 0.91 CYP2C9 (0.58) CYP2C9KCNH2LMNAMAPTKCNE1
SCHEMBL52344 0.88 CYP2C9 (0.44) CYP2C9KDM4EALDH1A1
SCHEMBL52811 0.87 CYP2C9 (0.46) CYP2C9KCNH2SCDKDM4EALDH1A1
SCHEMBL415591 0.87 CYP2C9 (0.56) CYP2C9KCNH2LMNAMAPTKCNE1
SCHEMBL53150 0.85 CYP2C9 (0.39) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL87417 0.85 CYP2C9 (0.44) CYP2C9KCNH2KDM4EALDH1A1LMNA
SCHEMBL52304 0.83 CYP2C9 (0.40) 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 3969/4885SCD 2871/4885

“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.