SCHEMBL3774071

SCHEMBL3774071

CCC(C)CNC(=O)C(CC(C)C)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
CTSL P07711 6/20 0.41
CTSB P07858 5/20 0.41
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
ALDH1A1 P00352 2/20 0.41
FPR2 P25090 1/20 0.40
CAPN1 P07384 4/20 0.40
CAPN9 O14815 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSG P08311 1/20 0.39
BIRC2 Q13490 1/20 0.38
ANPEP P15144 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL3774073 1.00 MAPT (0.44) MAPTCTSLCTSBCTSSCTSK
SCHEMBL829314 0.84 CTSS (0.35) MAPTCTSLCTSBCTSSCTSK
SCHEMBL5003789 0.81 CTSS (0.44) MAPTCTSLCTSBCTSSCTSK
SCHEMBL836552 0.79 CTSK (0.65) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL15511095 0.79 CYP2D6 (0.54) MAPTCTSSCTSKALDH1A1MEN1
SCHEMBL18239176 0.77 CTSD (0.37) MAPTANPEPCYP2D6CYP2C19
SCHEMBL25330262 0.76 CAPN1 (0.48) MAPTCTSLCTSBCTSSCTSK
SCHEMBL6183239 0.76 CTSL (0.66) CTSLCTSBCTSSCTSK
SCHEMBL7456823 0.76 CTSL (0.66) CTSLCTSBCTSSCTSK
SCHEMBL18941372 0.76 CAPN1 (0.62) CTSLCTSBCAPN1CAPN9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 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-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION QDPR, VIP, AAAS MAPT 4393/4885CTSL 3275/4885CTSB 1015/4885

“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.