SCHEMBL1643448

SCHEMBL1643448

CCC[C@H](NC(=O)OCc1ccccc1)C(O)C(C)(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.52
CTSL P07711 4/20 0.51
CTSS P25774 4/20 0.51
CTSB P07858 2/20 0.51
SYK P43405 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.47
ATM Q13315 1/20 0.45
MBOAT4 Q96T53 1/20 0.45
CTRB1 P17538 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL14796733 0.82 CTSK (0.53) CTSKCTSLCTSSCTSBSYK
SCHEMBL417361 0.82 CTSK (0.53) CTSKCTSLCTSSSYKTRPM8
SCHEMBL15271790 0.82 CTSK (0.53) CTSKCTSLCTSSSYKTRPM8
SCHEMBL416706 0.82 CTSK (0.53) CTSKCTSLCTSSSYKTRPM8
SCHEMBL25949256 0.82 CTSK (0.58) CTSKCTSLCTSSCTSBTRPM8
SCHEMBL13489693 0.82 CTSK (0.58) CTSKCTSLCTSSCTSBTRPM8
SCHEMBL3747223 0.81 CTSK (0.46) CTSKCTSLCTSSCTSBSYK
SCHEMBL8242655 0.81 TRPM8 (0.56) CTSKCTSLCTSSCTSBTRPM8
SCHEMBL8243623 0.81 TRPM8 (0.56) CTSKCTSLCTSSCTSBTRPM8
SCHEMBL14509699 0.81 CTSK (0.52) CTSKCTSLCTSSCTSBSYK

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-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
US-7834051-B2 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-16 US disclosed
US-20090042967-A1 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 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 (2 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-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR AR, NR5A1, SHBG CTSK 4596/4885CTSL 4770/4885CTSS 4628/4885
US-20090042967-A1 Cyclic amine compounds SHBG, FSHR, ACP3 CTSK 2063/4885CTSL 1603/4885CTSS 1381/4885

“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.