SCHEMBL1504058

SCHEMBL1504058

CCC(=O)C(NC(=O)OC(C)(C)C)[C@@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
KLK5 Q9Y337 2/20 0.47
CASP1 P29466 8/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
PPARA Q07869 1/20 0.45
MAPT P10636 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CASP3 P42574 2/20 0.44

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
SCHEMBL4356869 0.84 SYK (0.57) SYKKLK5CASP1TRPM8PPARA
SCHEMBL11026023 0.84 SYK (0.57) SYKKLK5CASP1TRPM8PPARA
SCHEMBL4363469 0.84 SYK (0.57) SYKKLK5CASP1TRPM8PPARA
SCHEMBL10628673 0.84 SYK (0.57) SYKKLK5CASP1TRPM8PPARA
SCHEMBL10350971 0.84 KLK5 (0.57) SYKKLK5CASP1TRPM8PPARA
SCHEMBL10630644 0.82 CTSK (0.55) SYKKLK5PPARACTSLCTSB
SCHEMBL1503843 0.82 SYK (0.57) SYKKLK5CASP1TRPM8PPARA
SCHEMBL2186497 0.82 SYK (0.57) SYKKLK5CASP1TRPM8PPARA
SCHEMBL4364181 0.81 SYK (0.54) SYKKLK5CASP1TRPM8PPARA
SCHEMBL7216424 0.81 SYK (0.61) SYKKLK5CASP1PPARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 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 (3 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-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R SYK 1675/4885KLK5 3666/4885CASP1 48/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R SYK 2089/4885KLK5 3922/4885CASP1 63/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 SYK 1228/4885KLK5 876/4885CASP1 647/4885

“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.