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SCHEMBL52278

SCHEMBL52278

CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCCCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.45
▸ KCNH2 Q12809 1/20 0.40
▸ LIPG Q9Y5X9 3/20 0.35
▸ MME P08473 1/20 0.35
▸ AKR1B10 O60218 1/20 0.34
▸ AKR1A1 P14550 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ CBR1 P16152 1/20 0.34
▸ AKR1C4 P17516 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ AKT3 Q9Y243 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ ERCC1 P07992 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ ERCC4 Q92889 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL64541 0.95 CYP2C9 (0.46) CYP2C9KCNH2EGLN1NPC1RAB9A
SCHEMBL63505 0.92 L3MBTL1 (0.39) CYP2C9LIPGEGLN1NPC1RAB9A
SCHEMBL52664 0.91 CYP2C9 (0.55) CYP2C9KCNH2LIPGERCC1FEN1
SCHEMBL63903 0.89 CYP2C9 (0.39) CYP2C9KCNH2LIPGAKR1B10AKR1B1
SCHEMBL52496 0.89 LIPG (0.43) LIPG
SCHEMBL9905286 0.88 CYP2C9 (0.45) CYP2C9KCNH2EGLN1
SCHEMBL63901 0.88 CYP2C9 (0.38) CYP2C9LIPGEGLN1NPC1RAB9A
SCHEMBL64254 0.88 CYP2C9 (0.38) CYP2C9LIPGEGLN1NPC1RAB9A
SCHEMBL63523 0.86 KDM4E (0.40) CYP2C9EGLN1L3MBTL1MEN1KMT2A
SCHEMBL63588 0.86 CYP2C9 (0.54) CYP2C9KCNH2LIPGERCC1FEN1

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 10 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
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 — — EP 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
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 3969/4885LIPG 3475/4885

“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.