SCHEMBL62748

SCHEMBL62748

CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2nc3ccccc3s2)c(O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
HPGD P15428 2/20 0.35
USP30 Q70CQ3 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 1/20 0.34
MAPK1 P28482 1/20 0.33
KCNH2 Q12809 1/20 0.32
BCHE P06276 1/20 0.32
KLKB1 P03952 1/20 0.32
KLK1 P06870 1/20 0.32
PDE10A Q9Y233 1/20 0.31
MAPT P10636 3/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 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
SCHEMBL53142 0.86 CYP2C9 (0.45) CYP2C9EGLN1EGLN3KCNH2POLB
SCHEMBL63534 0.83 HTT (0.40) CYP2C9HPGDMAPK1POLB
SCHEMBL64597 0.83 CYP2C9 (0.47) CYP2C9KCNH2
SCHEMBL64262 0.82 HPGD (0.39) CYP2C9HPGDUSP30ROCK2ROCK1
SCHEMBL64273 0.82 CYP2C9 (0.39) CYP2C9HPGDPDE10AMAPTL3MBTL1
SCHEMBL63538 0.82 CYP2C9 (0.46) CYP2C9HPGDKCNH2MAPTGAA
SCHEMBL63890 0.82 CYP2C9 (0.36) CYP2C9EGLN1KCNH2TP53POLB
SCHEMBL62742 0.82 CYP2C9 (0.38) CYP2C9EGLN1KCNH2
SCHEMBL63536 0.81 CNR1 (0.40) CYP2C9HPGDCNR1
SCHEMBL64529 0.81 ALDH1A1 (0.41) CYP2C9HPGDMAPTPOLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 602/4885EGLN2 3808/4885EGLN1 3578/4885

“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.