SCHEMBL620642

SCHEMBL620642

COC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H]1CCCOC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.52
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
TSHR P16473 4/20 0.46
CYP3A4 P08684 3/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
CTSK P43235 4/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
ATM Q13315 1/20 0.46
EPHX1 P07099 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL620790 1.00 CYP1A2 (0.52) CYP1A2ALDH1A1GAACYP2C9CYP2C19
SCHEMBL620643 1.00 CYP1A2 (0.52) CYP1A2ALDH1A1GAACYP2C9CYP2C19
SCHEMBL620641 1.00 CYP1A2 (0.52) CYP1A2ALDH1A1GAACYP2C9CYP2C19
SCHEMBL620791 1.00 CYP1A2 (0.52) CYP1A2ALDH1A1GAACYP2C9CYP2C19
SCHEMBL13308110 0.88 ATM (0.51) CYP1A2ALDH1A1CYP2C9CYP2C19TSHR
SCHEMBL29618020 0.88 ATM (0.51) CYP1A2ALDH1A1CYP2C9CYP2C19TSHR
SCHEMBL29618021 0.88 ATM (0.51) CYP1A2ALDH1A1CYP2C9CYP2C19TSHR
SCHEMBL3369219 0.87 CTSL (0.50) CYP1A2ALDH1A1GAACYP2C9CYP2C19
SCHEMBL903622 0.87 CTSL (0.50) CYP1A2ALDH1A1GAACYP2C9CYP2C19
SCHEMBL20825664 0.87 EPHX1 (0.56) CYP1A2ALDH1A1GAACYP2C9CYP2C19

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO disclosed
WO-2011075439-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-23 WO disclosed
WO-2011075439-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-23 WO disclosed
WO-2011060000-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011060000-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL CYP1A2 2057/4885ALDH1A1 1107/4885GAA 226/4885

“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.