SCHEMBL6021231

SCHEMBL6021231

CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCC#N

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.84
CTSS P25774 3/20 0.84
CTSK P43235 3/20 0.84
MAPT P10636 2/20 0.63
TP53 P04637 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.61
TACR3 P29371 1/20 0.60
ACHE P22303 2/20 0.59
BCHE P06276 1/20 0.59
TACR1 P25103 3/20 0.59
NMBR P28336 4/20 0.59

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
SCHEMBL6021511 0.91 CTSS (1.00) CTSLCTSSCTSKMAPTTP53
SCHEMBL6020628 0.90 CTSL (0.68) CTSLCTSSCTSKMAPTTACR3
SCHEMBL15145364 0.88 CTSL (0.77) CTSLCTSSCTSKMAPTTP53
SCHEMBL15145404 0.88 CTSL (0.77) CTSLCTSSCTSKMAPTTP53
SCHEMBL6019326 0.88 NMBR (0.65) CTSLCTSSCTSKMAPTTACR3
SCHEMBL18879584 0.87 CTSL (0.74) CTSLCTSSCTSKMAPTTP53
SCHEMBL17884340 0.87 CTSL (0.74) CTSLCTSSCTSKMAPTTP53
SCHEMBL6020882 0.87 NMBR (0.66) CTSLCTSSCTSKMAPTTACR3
SCHEMBL9834534 0.86 CTSL (0.80) CTSLCTSSCTSKMAPTTP53
SCHEMBL6021350 0.86 CTSL (0.66) CTSLCTSSCTSKMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CTSL 2274/4885CTSS 2720/4885CTSK 2529/4885

“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.