Sugi Predict

Sugi Predict / Compounds / SCHEMBL2579880

SCHEMBL2579880

SCHEMBL2579880

C[C@@H](c1ncc(-c2ccc(-c3ccc(-c4[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc4C(F)(F)F)cc3)cc2)[nH]1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.43
▸ CYP2C9 P11712 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ KCNH2 Q12809 2/20 0.41
▸ NR1I2 O75469 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ PRCP P42785 4/20 0.37
▸ HPGDS O60760 3/20 0.36
▸ PTGES O14684 2/20 0.34
▸ UCHL1 P09936 2/20 0.33
▸ USP30 Q70CQ3 1/20 0.33

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
SCHEMBL13747841 0.94 CYP3A4 (0.43) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL2965642 0.94 CYP3A4 (0.43) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL700050 0.94 CYP3A4 (0.43) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL16106090 0.89 CYP3A4 (0.38) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL2591007 0.88 CYP3A4 (0.52) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL1746980 0.86 CYP3A4 (0.52) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL13635770 0.86 CYP3A4 (0.52) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL16105875 0.85 KCNH2 (0.42) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL3343500 0.83 CYP3A4 (0.49) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2
SCHEMBL12174945 0.83 HPGDS (0.52) CYP3A4CYP2C9CYP1A2CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US claimed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 — — US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 — — US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 — — US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (8 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-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885CYP1A2 2139/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885CYP1A2 2139/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885CYP1A2 2139/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885CYP1A2 2139/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885CYP1A2 2139/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885CYP1A2 2139/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885CYP1A2 2139/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885CYP2C9 2585/4885CYP1A2 2139/4885

“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.