SCHEMBL2174344

SCHEMBL2174344

CCC(=O)NNC(=O)C(OC)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.70
ALDH1A1 P00352 5/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.47
GLS O94925 4/20 0.47

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
SCHEMBL12282275 0.79 PKM (0.64) RECQLALDH1A1GAALMNAPKM
SCHEMBL1775170 0.76 PKM (0.49) RECQLALDH1A1GAALMNAPKM
SCHEMBL8916093 0.76 PKM (0.49) RECQLALDH1A1GAALMNAPKM
SCHEMBL13434151 0.76 ALDH1A1 (0.64) RECQLALDH1A1GAALMNAPKM
SCHEMBL8281830 0.76 ALDH1A1 (0.64) RECQLALDH1A1GAALMNAPKM
SCHEMBL14665151 0.76 KEAP1 (0.53) RECQLALDH1A1GAALMNAPKM
SCHEMBL8049390 0.75 ALDH1A1 (0.77) RECQLALDH1A1GAALMNAL3MBTL1
SCHEMBL20183041 0.75 KMT2A (0.60) RECQLALDH1A1GAALMNAPKM
SCHEMBL20183040 0.75 KMT2A (0.60) RECQLALDH1A1GAALMNAPKM
SCHEMBL11870023 0.75 KMT2A (0.60) RECQLALDH1A1GAALMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP claimed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO claimed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US 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 (2 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 RECQL 1426/4885ALDH1A1 3778/4885GAA 777/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 RECQL 1426/4885ALDH1A1 3778/4885GAA 777/4885

“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.