SCHEMBL17268784

SCHEMBL17268784

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ PEPD P12955 2/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ ANPEP P15144 2/20 0.34
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ XPNPEP1 Q9NQW7 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 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
SCHEMBL18827805 0.92 ATM (0.38) HDAC8CTSLCTSBCTSKCMA1
SCHEMBL13728286 0.89 PEPD (0.38) HDAC8ALDH1A1PEPDMMP2ANPEP
SCHEMBL13728287 0.89 PEPD (0.38) HDAC8ALDH1A1PEPDMMP2ANPEP
SCHEMBL14912593 0.89 PEPD (0.38) HDAC8ALDH1A1PEPDMMP2ANPEP
SCHEMBL15005791 0.89 HDAC8 (0.36) HDAC8ALDH1A1PEPDMMP2ANPEP
SCHEMBL14248329 0.89 HDAC8 (0.36) HDAC8ALDH1A1PEPDMMP2ANPEP
SCHEMBL14913755 0.89 PEPD (0.38) HDAC8ALDH1A1PEPDMMP2ANPEP
SCHEMBL14991008 0.89 HDAC8 (0.36) HDAC8ALDH1A1PEPDMMP2ANPEP
SCHEMBL14248282 0.89 HDAC8 (0.36) HDAC8ALDH1A1PEPDMMP2ANPEP
SCHEMBL14991009 0.89 HDAC8 (0.36) HDAC8ALDH1A1PEPDMMP2ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329547-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-11-19 — — 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 (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-20150329547-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 HDAC8 2235/4885ALDH1A1 421/4885PEPD 1180/4885

“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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