SCHEMBL5564472

SCHEMBL5564472

CC(=O)N[C@@H](C#N)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 10/20 0.70
CTSK P43235 3/20 0.60
CTSS P25774 2/20 0.60
CTSL P07711 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CTSH P09668 1/20 0.56
CYP2D6 P10635 1/20 0.56
CTRB1 P17538 4/20 0.55

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
SCHEMBL5564477 1.00 CTSC (0.70) CTSCCTSKCTSSCTSLCYP1A2
SCHEMBL4425402 0.86 CTSC (0.71) CTSCCTSKCTSSCTSLCYP1A2
SCHEMBL5906582 0.86 CTSC (0.71) CTSCCTSKCTSSCTSLCYP1A2
SCHEMBL334424 0.85 CTRB1 (0.57) CTSCCTSKCTSSCTRB1
SCHEMBL2843211 0.85 CTRB1 (0.57) CTSCCTSKCTSSCTRB1
SCHEMBL334301 0.85 CTRB1 (0.57) CTSCCTSKCTSSCTRB1
SCHEMBL10403423 0.83 CTRB1 (0.55) CTSCCTSKCTSSCYP1A2CTRB1
SCHEMBL8327832 0.83 CTSC (1.00) CTSCCTSKCTSSCTSLCYP1A2
SCHEMBL10961618 0.82 CTSL (0.70) CTSCCTSKCTSSCTSLCYP1A2
SCHEMBL5186109 0.82 CTSC (0.75) CTSCCTSKCTSSCTSLCYP1A2

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-7183443-B2 Process for the preparation of enantiomerically enriched compounds DSM IP ASSETS B.V. (NL) 2007-02-27 US disclosed
US-20050215822-A1 Process for the preparation of enantiomerically enriched compounds DSM IP ASSETS B.V. (NL) 2005-09-29 US disclosed
EP-1352894-A1 Process for the preparation of enantiomerically enriched compounds DSM IP Assets B.V. (NL) 2003-10-15 EP 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-20050215822-A1 Process for the preparation of enantiomerically enriched compounds ADH1C, ADH1A, ADH5 CTSC 899/4885CTSK 3479/4885CTSS 2481/4885

“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.