SCHEMBL14949896

SCHEMBL14949896

CC1(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NC2(C#N)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.55
CTSK P43235 3/20 0.55
CTSL P07711 3/20 0.44
CTSB P07858 2/20 0.44

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
SCHEMBL14949893 0.82 CTSS (0.57) CTSS
SCHEMBL15194457 0.79 CYP1A2 (0.49) CTSSCTSKCTSLCTSB
SCHEMBL15194458 0.79 CYP1A2 (0.49) CTSSCTSKCTSLCTSB
SCHEMBL2105628 0.79 CYP1A2 (0.49) CTSSCTSKCTSLCTSB
SCHEMBL695023 0.78 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL2106098 0.77 CTSL (0.69) CTSSCTSKCTSLCTSB
SCHEMBL696714 0.75 CTSS (0.82) CTSSCTSLCTSB
SCHEMBL14938155 0.74 ATM (0.61)
SCHEMBL19301835 0.74 CTSK (0.59) CTSSCTSK
SCHEMBL14949911 0.74 CTSS (0.56) CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776392-B1 PROCESS FOR THE PREPARATION OF 1-ACYL-4-PHENYLSULFONYLPROLINAMIDE DERIVATIVES AND NEW INTERMEDIATES HOFFMANN LA ROCHE (CH) 2016-05-18 EP disclosed
US-8796471-B2 Process for the preparation of proline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-05 US disclosed
US-8796471-B2 Process for the preparation of proline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-05 US disclosed
US-20130123512-A1 PROCESS FOR THE PREPARATION OF PROLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-16 US disclosed
US-20130123512-A1 PROCESS FOR THE PREPARATION OF PROLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-16 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-20130123512-A1 PROCESS FOR THE PREPARATION OF PROLINE DERIVATIVES CTSS, CTSV, CTSZ CTSS 1/4885CTSK 17/4885CTSL 9/4885

“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.