SCHEMBL7787845

SCHEMBL7787845

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.52
CTSK P43235 11/20 0.52
CTSL P07711 3/20 0.45
CTSB P07858 2/20 0.45
P2RY2 P41231 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7787879 0.96 CTSK (0.51) CTSSCTSKCTSLCTSBP2RY2
SCHEMBL8517869 0.83 CTSS (0.52) CTSSCTSKCTSLCTSBP2RY2
SCHEMBL20817325 0.80 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL20817323 0.80 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL613038 0.79 CTSK (0.51) CTSSCTSKCTSLCTSBP2RY2
SCHEMBL17614512 0.79 CTSK (0.67) CTSSCTSK
SCHEMBL5031623 0.79 CTSK (0.51) CTSSCTSKCTSLCTSBP2RY2
SCHEMBL28662338 0.79 CTSK (0.51) CTSSCTSKCTSLCTSBP2RY2
SCHEMBL19695765 0.79 CTSK (0.51) CTSSCTSKCTSLCTSBP2RY2
SCHEMBL6791457 0.79 CTSK (0.51) CTSSCTSKCTSLCTSBP2RY2

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
US-20010034342-A1 Substituted urea and isothiourea derivatives as no synthase inhibitors OPLINGER JEFFREY ALAN (US) 2001-10-25 US disclosed
US-6297276-B1 Substituted urea and isothiourea derivatives as no synthase inhibitors GLAXOSMITHKLINE 2001-10-02 US disclosed
US-6225305-B1 Substituted urea and isothiorea derivatives as no synthase inhibitors GLAXO WELLCOME INC. 2001-05-01 US disclosed
EP-0723438-A1 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-31 EP disclosed
WO-1995009619-A2 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-13 WO 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-20010034342-A1 Substituted urea and isothiourea derivatives as no synthase inhibitors NOS1, NOS2, SLC14A1 CTSS 1683/4885CTSK 4032/4885CTSL 1790/4885

“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.