SCHEMBL13728366

SCHEMBL13728366

C=CCCC(C)C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.37
▸ HDAC8 Q9BY41 2/20 0.34
▸ CMA1 P23946 2/20 0.33
▸ CTSK P43235 3/20 0.32
▸ CTSS P25774 2/20 0.32
▸ CTSL P07711 2/20 0.32
▸ CTSB P07858 1/20 0.32
▸ ELANE P08246 2/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PREP P48147 1/20 0.31

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
SCHEMBL13729666 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL15668591 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL15668594 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL19458006 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL17732635 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL13728313 1.00 ATM (0.37) ATMHDAC8CMA1CTSKCTSS
SCHEMBL14913755 0.93 PEPD (0.38) HDAC8CTSKCTSSCTSLCTSB
SCHEMBL13728287 0.93 PEPD (0.38) HDAC8CTSKCTSSCTSLCTSB
SCHEMBL13728286 0.93 PEPD (0.38) HDAC8CTSKCTSSCTSLCTSB
SCHEMBL14912593 0.93 PEPD (0.38) HDAC8CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914598-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
EP-2914614-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 — — EP disclosed
EP-2914614-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 — — EP disclosed
US-9643999-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-09 — — US disclosed
US-9643999-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-09 — — US disclosed
US-9580463-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-28 — — US disclosed
EP-2964664-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-11 — — EP disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 — — US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 — — US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 — — EP disclosed
US-20140127156-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2014-05-08 — — US disclosed
WO-2014071032-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 — — WO disclosed
WO-2014071007-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 — — WO disclosed
WO-2014071032-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 — — WO disclosed
US-20140127156-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2014-05-08 — — US disclosed
WO-2014062196-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 — — WO disclosed
EP-2705049-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-03-12 — — EP disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 — — US disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 — — US disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 — — 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 (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-20140127156-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 ATM 4436/4885HDAC8 2235/4885CMA1 564/4885
US-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 ATM 4436/4885HDAC8 2235/4885CMA1 564/4885

“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.

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