SCHEMBL17364182

SCHEMBL17364182

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ ANPEP P15144 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.32
▸ PEPD P12955 1/20 0.31
▸ KLK5 Q9Y337 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ REN P00797 1/20 0.30

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
SCHEMBL16012027 1.00 ALDH1A1 (0.33) ALDH1A1MMP2ANPEPHDAC8PEPD
SCHEMBL16012277 0.93 ATM (0.35) HDAC8REN
SCHEMBL16012278 0.93 ATM (0.35) HDAC8REN
SCHEMBL17268784 0.88 HDAC8 (0.36) ALDH1A1MMP2ANPEPHDAC8PEPD
SCHEMBL16012130 0.88 PEPD (0.36) ALDH1A1MMP2ANPEPHDAC8PEPD
SCHEMBL17364144 0.88 PEPD (0.36) ALDH1A1MMP2ANPEPHDAC8PEPD
SCHEMBL15672745 0.85 ALDH1A1 (0.34) ALDH1A1MMP2ANPEPHDAC8PEPD
SCHEMBL19457997 0.85 ALDH1A1 (0.34) ALDH1A1MMP2ANPEPHDAC8PEPD
SCHEMBL17138057 0.85 ALDH1A1 (0.34) ALDH1A1MMP2ANPEPHDAC8PEPD
SCHEMBL4430070 0.84 HDAC1 (0.41) ALDH1A1MMP2ANPEPHDAC8PEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150376233-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-31 — — 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-20150376233-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 ALDH1A1 421/4885MMP2 875/4885ANPEP 577/4885

“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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