SCHEMBL10076050

SCHEMBL10076050

CCC(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 4/20 0.58
POLB P06746 2/20 0.58
KLK5 Q9Y337 1/20 0.58
ITGA4 P13612 2/20 0.56
ITGB7 P26010 2/20 0.56
ACE P12821 1/20 0.56
MAOA P21397 1/20 0.54
MMP1 P03956 1/20 0.54
MMP3 P08254 1/20 0.54
MMP9 P14780 1/20 0.54
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL19567163 0.89 MAPT (0.58) MAPTTDP1POLBKLK5ITGA4
SCHEMBL15624933 0.88 MAPT (0.57) MAPTTDP1POLBKLK5ITGA4
SCHEMBL27140801 0.88 MAPT (0.57) MAPTTDP1POLBKLK5ITGA4
SCHEMBL13296580 0.88 MAPT (0.57) MAPTTDP1POLBKLK5ITGA4
SCHEMBL15610735 0.88 MAPT (0.57) MAPTTDP1POLBKLK5ITGA4
SCHEMBL10791801 0.88 MAPT (0.57) MAPTTDP1POLBKLK5ITGA4
SCHEMBL15610733 0.88 MAPT (0.57) MAPTTDP1POLBKLK5ITGA4
SCHEMBL15706369 0.86 ACE (0.63) MAPTTDP1POLBKLK5ITGA4
SCHEMBL30291800 0.86 ACE (0.60) MAPTTDP1POLBKLK5ITGA4
SCHEMBL19567138 0.86 ACE (0.63) MAPTTDP1POLBKLK5ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014044849-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-27 WO disclosed
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 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-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 MAPT 3626/4885TDP1 971/4885POLB 3723/4885

“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.