SCHEMBL14247939

SCHEMBL14247939

C=CC(C)CCC[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 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.38
▸ HDAC8 Q9BY41 2/20 0.36
▸ CMA1 P23946 1/20 0.34
▸ CTSK P43235 3/20 0.33
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 2/20 0.33
▸ ACE P12821 2/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ PREP P48147 1/20 0.31
▸ ELANE P08246 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
SCHEMBL14247942 1.00 ATM (0.38) ATMHDAC8CMA1CTSKCTSL
SCHEMBL15004669 1.00 ATM (0.38) ATMHDAC8CMA1CTSKCTSL
SCHEMBL14248130 1.00 ATM (0.38) ATMHDAC8CMA1CTSKCTSL
SCHEMBL14991009 0.92 HDAC8 (0.36) HDAC8CTSKCTSLCTSB
SCHEMBL14248329 0.92 HDAC8 (0.36) HDAC8CTSKCTSLCTSB
SCHEMBL14248282 0.92 HDAC8 (0.36) HDAC8CTSKCTSLCTSB
SCHEMBL14991008 0.92 HDAC8 (0.36) HDAC8CTSKCTSLCTSB
SCHEMBL15005791 0.92 HDAC8 (0.36) HDAC8CTSKCTSLCTSB
SCHEMBL18827805 0.89 ATM (0.38) ATMHDAC8CMA1CTSKCTSL
SCHEMBL17732635 0.82 ATM (0.37) ATMHDAC8CMA1CTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721053-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 — — EP disclosed
EP-2721053-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 — — EP disclosed
EP-2721053-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-04-23 — — EP disclosed
US-20130142754-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 — — US disclosed
US-20130142754-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 — — US disclosed
WO-2012173983-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-20 — — WO disclosed
WO-2012173983-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-20 — — 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-20130142754-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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