SCHEMBL13074183

SCHEMBL13074183

CCC(CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.64
SYK P43405 1/20 0.62
CTSS P25774 2/20 0.58
CTSL P07711 2/20 0.58
CTSB P07858 1/20 0.58
CTRB1 P17538 2/20 0.58
CAPN1 P07384 1/20 0.57
CAPN2 P17655 1/20 0.57
PSMB1 P20618 1/20 0.56
PSMB5 P28074 1/20 0.56
PSMB2 P49721 1/20 0.56
ATM Q13315 1/20 0.54

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
SCHEMBL14595271 1.00 CTSK (0.64) CTSKSYKCTSSCTSLCTSB
SCHEMBL12220545 0.90 SYK (0.69) CTSKSYKCTSSCTSLCTSB
SCHEMBL25949248 0.89 CTSK (0.65) CTSKSYKCTSSCTSLCTSB
SCHEMBL14923444 0.89 CTSK (0.62) CTSKCTSSCTSLCTSBCTRB1
SCHEMBL5724608 0.89 CTSK (0.62) CTSKCTSSCTSLCTSBCTRB1
SCHEMBL2723504 0.89 CTSK (0.62) CTSKCTSSCTSLCTSBCTRB1
SCHEMBL13864149 0.88 SYK (0.58) CTSKSYKCTSSCTSLCTSB
SCHEMBL25182274 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBCTRB1
SCHEMBL2724462 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBCTRB1
SCHEMBL10983417 0.86 CTSK (0.60) CTSKCTSSCTSLCTSBCTRB1

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-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 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-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 CTSK 3053/4885SYK 2784/4885CTSS 2350/4885

“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.