SCHEMBL13245358

SCHEMBL13245358

C[C@@H](N)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCN(C)CC3)cc2)cc1)C(=O)NO

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.58
ALK Q9UM73 2/20 0.49
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL3013941 0.92 ACACB (0.52) HDAC6
SCHEMBL403074 0.91 HDAC6 (0.59) HDAC6
SCHEMBL13245632 0.89 MMP2 (0.51)
SCHEMBL15382503 0.89 MMP2 (0.51)
SCHEMBL13245556 0.89 MMP2 (0.51)
SCHEMBL13245513 0.89 MMP2 (0.51)
SCHEMBL13245627 0.89 MMP2 (0.51)
SCHEMBL13984855 0.89 HDAC6 (0.59) HDAC6CTSLCTSBCTSSCTSK
SCHEMBL13245359 0.89 KDM4E (0.46) HDAC6
SCHEMBL3016003 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HDAC6 552/4885ALK 4760/4885CTSL 160/4885

“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.