Sugi Predict

Sugi Predict / Compounds / SCHEMBL52520

SCHEMBL52520

SCHEMBL52520

O=C(NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KCNH2 Q12809 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ERCC1 P07992 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ CALCA P06881 1/20 0.37
▸ KCNE1 P15382 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ KCNQ1 P51787 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL52562 0.93 KCNH2 (0.45) L3MBTL1KCNH2CYP2C9ERCC1FEN1
SCHEMBL52473 0.91 KCNH2 (0.43) KCNH2CYP2C9ERCC1FEN1ERCC4
SCHEMBL62253 0.89 MMP13 (0.37) L3MBTL1KCNH2CYP2C9TP53
SCHEMBL418372 0.89 KCNH2 (0.47) L3MBTL1KCNH2CYP2C9ERCC1FEN1
SCHEMBL64481 0.89 KCNH2 (0.45) L3MBTL1KCNH2CYP2C9ERCC1FEN1
SCHEMBL52470 0.88 KCNH2 (0.49) L3MBTL1KCNH2CYP2C9ERCC1FEN1
SCHEMBL64204 0.87 KCNH2 (0.48) L3MBTL1KCNH2CYP2C9ERCC1FEN1
SCHEMBL63410 0.87 SMN1; SMN2 (0.53) L3MBTL1KCNH2CYP2C9ERCC1FEN1
SCHEMBL62574 0.87 NAMPT (0.46) CYP2C9NAMPT
SCHEMBL63102 0.87 KCNH2 (0.47) L3MBTL1KCNH2CYP2C9ERCC1FEN1

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 L3MBTL1 2276/4885KCNH2 3969/4885CYP2C9 602/4885

“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.