SCHEMBL1503940

SCHEMBL1503940

CCC(C(=O)O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.41
CTSS P25774 4/20 0.41
MAPT P10636 1/20 0.41
CTSK P43235 4/20 0.40
CTSL P07711 3/20 0.38
CTSB P07858 1/20 0.38
ACE P12821 1/20 0.38
KLK5 Q9Y337 2/20 0.38
KLK7 P49862 1/20 0.38
ATM Q13315 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL4366490 0.84 SYK (0.48) SYKPPARAPPARGCTSSMAPT
SCHEMBL2186501 0.84 SYK (0.57) SYKPPARAPPARGCTSSMAPT
SCHEMBL1503845 0.84 SYK (0.57) SYKPPARAPPARGCTSSMAPT
SCHEMBL1503935 0.83 SYK (0.48) SYKPPARAPPARGCTSSMAPT
SCHEMBL5826373 0.82 CTSS (0.48) SYKCTSSCTSKCTSLCTSB
SCHEMBL263533 0.81 ATM (0.46) SYKCTSSCTSKCTSLCTSB
SCHEMBL25401078 0.80 ATM (0.47) SYKCTSSCTSKCTSLCTSB
SCHEMBL25401074 0.80 ATM (0.47) SYKCTSSCTSKCTSLCTSB
SCHEMBL1503938 0.79 SYK (0.49) SYKPPARACTSSMAPTCTSK
SCHEMBL5724348 0.79 SYK (0.57) SYKCTSSCTSKCTSLCTSB

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 1675/4885PPARA 4189/4885PPARG 3489/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R SYK 2089/4885PPARA 4308/4885PPARG 3563/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 SYK 1228/4885PPARA 3468/4885PPARG 3635/4885

“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.