SCHEMBL1109062

SCHEMBL1109062

CC(C)CC(NC(=O)C(Cc1ccc(OP(=O)(O)O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
PSMB11 A5LHX3 1/20 0.49
PSMD11 O00231 1/20 0.49
PSMD12 O00232 1/20 0.49
PSMD14 O00487 1/20 0.49
PSMA7 O14818 1/20 0.49
PSMD3 O43242 1/20 0.49
PSMC3 P17980 1/20 0.49
PSMB1 P20618 1/20 0.49

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
SCHEMBL10042643 0.91 GRB2 (0.47) CTSLPSMB11PSMD11PSMD12PSMD14
SCHEMBL10042652 0.91 GRB2 (0.47) CTSLPSMB11PSMD11PSMD12PSMD14
SCHEMBL10042738 0.91 PSMB8 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31248331 0.91 PSMB8 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22526010 0.90 PSMB11 (0.49) CTSLPSMB11PSMD11PSMD12PSMD14
SCHEMBL10042737 0.89 KLKB1 (0.55) CTSLPSMB11PSMD11PSMD12PSMD14
SCHEMBL1109060 0.87 SYK (0.50) CTSLPSMB11PSMD11PSMD12PSMD14
SCHEMBL13607250 0.87 TAS1R3 (0.52) PSMB11PSMD11PSMD12PSMD14PSMA7
SCHEMBL1109059 0.84 SYK (0.47) CTSLSYK
SCHEMBL1109061 0.83 CHRM2 (0.48) PSMB11PSMD11PSMD12PSMD14PSMA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153596-B2 Use of SH2 STAT3/STAT1 peptidomimetics as anticancer drugs UNIVERSITY OF SOUTH FLORIDA (US) 2012-04-10 US disclosed
US-20090318367-A1 Use of SH2 STAT3/STAT1 Peptidomimetics as Anticancer Drugs UNIVERSITY OF SOUTH FLORIDA (US) 2009-12-24 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-20090318367-A1 Use of SH2 STAT3/STAT1 Peptidomimetics as Anticancer Drugs STAT3, STAT1, STAT4 CTSL 2723/4885HDAC3 1703/4885HDAC4 1563/4885

“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.