SCHEMBL3580969

SCHEMBL3580969

CC(C)C[C@H](N[C@H]1CCOC1=O)C(=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
KMT2A Q03164 2/20 0.40
PTPN1 P18031 3/20 0.39
EPHX2 P34913 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3580964 0.86 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL27261213 0.76 CASP3 (0.43) KMT2A
SCHEMBL6036683 0.74 KMT2A (0.48) KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL7152831 0.73 MDM4 (0.57) KMT2APTPN1
SCHEMBL9449368 0.72 PTPN1 (0.51) CTSKKMT2APTPN1EPHX2
SCHEMBL14264912 0.72 MDM4 (0.45) CTSKCTSLCTSSKMT2APTPN1
SCHEMBL12687225 0.72 PTPN1 (0.52) KMT2APTPN1EPHX2
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL1002861 0.72 MDM4 (0.58) KMT2APTPN1
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL120560 0.72 MDM4 (0.58) KMT2APTPN1
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL29376158 0.72 MDM4 (0.58) KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659266-B2 Amidine derivatives and their applications as a medicament S.C.R.A.S. (FR) 2010-02-09 US disclosed
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2009-01-15 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-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT CAPN2, CAPN9, CAPN1 CTSK 148/4885CTSL 154/4885CTSS 210/4885

“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.