SCHEMBL52097

SCHEMBL52097

O=C(NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(=O)N1CCN(C(=O)c2cccs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
KCNH2 Q12809 1/20 0.40
CYP2C9 P11712 1/20 0.40
MLLT1 Q03111 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.36
KCNA5 P22460 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CALCA P06881 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL52191 0.89 KCNH2 (0.45) ERCC1FEN1ERCC4KCNH2CYP2C9
SCHEMBL52148 0.88 KCNH2 (0.47) ERCC1FEN1ERCC4KCNH2CYP2C9
SCHEMBL52808 0.88 CYP2C9 (0.49) ERCC1FEN1ERCC4KCNH2CYP2C9
SCHEMBL52167 0.87 KCNH2 (0.45) ERCC1FEN1ERCC4KCNH2CYP2C9
SCHEMBL52544 0.87 KCNH2 (0.45) ERCC1FEN1ERCC4KCNH2CYP2C9
SCHEMBL52277 0.87 CYP2C9 (0.48) ERCC1FEN1ERCC4KCNH2CYP2C9
SCHEMBL51839 0.87 KCNH2 (0.40) KCNH2CYP2C9KMT2AGAACALCA
SCHEMBL51771 0.86 KCNH2 (0.44) ERCC1FEN1ERCC4KCNH2CYP2C9
SCHEMBL51995 0.86 KCNH2 (0.44) ERCC1FEN1ERCC4KCNH2CYP2C9
SCHEMBL52093 0.86 KCNH2 (0.40) ERCC1FEN1ERCC4KCNH2CYP2C9

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 ERCC1 236/4885FEN1 27/4885ERCC4 104/4885

“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.