SCHEMBL4972302

SCHEMBL4972302

CC(C)C[C@H](NC(=S)Nc1ccc(C#N)cc1)C(=O)N[C@H]1CCOC1=O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 9/20 0.69
CTSK P43235 3/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
FPR1 P21462 2/20 0.40
FPR2 P25090 2/20 0.40
SCN9A Q15858 2/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL4969124 0.89 CAPN1 (0.67) CAPN1CTSKCA1CA2CTSL
SCHEMBL4970169 0.88 CAPN1 (0.67) CAPN1CTSKCA1CA2CTSL
SCHEMBL4969603 0.88 CAPN1 (0.66) CAPN1CTSKCTSLCTSS
SCHEMBL4973417 0.86 CAPN1 (0.68) CAPN1CTSKCA1CA2CTSL
SCHEMBL4970138 0.81 CAPN1 (0.69) CAPN1CTSK
SCHEMBL4970175 0.81 CAPN1 (1.00) CAPN1
SCHEMBL4972733 0.79 CAPN1 (0.68) CAPN1CTSKCTSLCTSS
SCHEMBL7513284 0.77 CAPN1 (0.53) CAPN1CTSKCTSLCTSS
SCHEMBL4966952 0.76 CAPN1 (0.67) CAPN1CTSKCTSLCTSS
SCHEMBL4968800 0.72 CAPN1 (0.64) CAPN1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489076-B1 CYCLIC HEMIACETAL DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2008-08-13 EP disclosed
US-7202274-B2 Cyclic hemiacetal derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-04-10 US disclosed
US-20050119499-A1 Cyclic hemiacetal derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-06-02 US disclosed
EP-1489076-A1 CYCLIC HEMIACETAL DERIVATIVE AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2004-12-22 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-20050119499-A1 Cyclic hemiacetal derivative and use thereof CAPN1, CAPN2, CAPNS1 CAPN1 1/4885CTSK 798/4885CA1 504/4885

“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.