SCHEMBL13857488

SCHEMBL13857488

CCC(NC(=O)CN)C(=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.34
ACACB O00763 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
DNM1 Q05193 1/20 0.30

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
SCHEMBL13857484 0.83 CYP2C9 (0.43) ALDH1A1LMNAMMP1MMP2MMP3
SCHEMBL13857486 0.80 ALDH1A1 (0.41) ALDH1A1LMNAMMP1MMP2MMP3
SCHEMBL18495355 0.79 CTSC (0.33) CTSCACACBLMNADNM1
SCHEMBL8468722 0.79 POLB (0.40) CTSCALDH1A1
SCHEMBL19686140 0.79 NOD1 (0.35) CTSCACACBLMNADNM1
SCHEMBL26838356 0.79 NOD1 (0.35) CTSCACACBLMNADNM1
SCHEMBL1133639 0.79 POLB (0.40) CTSCALDH1A1
SCHEMBL18771539 0.78 CTSC (0.33) CTSCACACBALDH1A1
SCHEMBL25448139 0.78 CTSC (0.34) CTSC
SCHEMBL19486079 0.77 ALDH1A1 (0.47) ACACBALDH1A1MMP1MMP2MMP3

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-20090131306-A1 CHEMICALLY MODIFIED CYCLIC PEPTIDES CONTAINING CELL ADHESION RECOGNITION (CAR) SEQUENCES AND USES THEREFOR ADHEREX TECHNOLOGIES, INC. (CA) 2009-05-21 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-20090131306-A1 CHEMICALLY MODIFIED CYCLIC PEPTIDES CONTAINING CELL ADHESION RECOGNITION (CAR) SEQUENCES AND USES THEREFOR VCAM1, EPCAM, ADGRF1 CTSC 1646/4885ACACB 3714/4885ALDH1A1 2975/4885

“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.