SCHEMBL13728286

SCHEMBL13728286

C=CCCC(C)C[C@@H](C)C(NC(=O)OC(C)(C)C)C(=O)N1CC(O)CC1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PEPD P12955 2/20 0.38
▸ XPNPEP1 Q9NQW7 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HDAC8 Q9BY41 4/20 0.34
▸ CTSL P07711 2/20 0.33
▸ CTSK P43235 2/20 0.32
▸ CTSB P07858 1/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ ANPEP P15144 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ KLK5 Q9Y337 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
SCHEMBL14913755 1.00 PEPD (0.38) PEPDXPNPEP1ALDH1A1HDAC8CTSL
SCHEMBL13730193 1.00 PEPD (0.38) PEPDXPNPEP1ALDH1A1HDAC8CTSL
SCHEMBL13728287 1.00 PEPD (0.38) PEPDXPNPEP1ALDH1A1HDAC8CTSL
SCHEMBL13728958 1.00 PEPD (0.38) PEPDXPNPEP1ALDH1A1HDAC8CTSL
SCHEMBL14912593 1.00 PEPD (0.38) PEPDXPNPEP1ALDH1A1HDAC8CTSL
SCHEMBL13729666 0.93 ATM (0.37) HDAC8CTSLCTSKCTSBCTSS
SCHEMBL13728313 0.93 ATM (0.37) HDAC8CTSLCTSKCTSBCTSS
SCHEMBL17732635 0.93 ATM (0.37) HDAC8CTSLCTSKCTSBCTSS
SCHEMBL15668594 0.93 ATM (0.37) HDAC8CTSLCTSKCTSBCTSS
SCHEMBL13728366 0.93 ATM (0.37) HDAC8CTSLCTSKCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 — — US disclosed
EP-2705049-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 — — EP disclosed
US-9409943-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 — — US disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 — — US disclosed
US-20150239930-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 — — US disclosed
EP-2909205-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-08-26 — — EP disclosed
US-20150125422-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-05-07 — — US disclosed
US-8957203-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-17 — — 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
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 (4 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-20150239930-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 PEPD 1180/4885XPNPEP1 2524/4885ALDH1A1 421/4885
US-20150125422-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 PEPD 1180/4885XPNPEP1 2524/4885ALDH1A1 421/4885
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 PEPD 1180/4885XPNPEP1 2524/4885ALDH1A1 421/4885
US-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 PEPD 1180/4885XPNPEP1 2524/4885ALDH1A1 421/4885

“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.

Send feedback