SCHEMBL3604870

SCHEMBL3604870

CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CMA1 P23946 10/20 0.46
CTSK P43235 2/20 0.45
CTSS P25774 1/20 0.45
XIAP P98170 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
ELANE P08246 1/20 0.43
ACE P12821 1/20 0.42
CTSL P07711 2/20 0.42
KMT2A Q03164 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL5696171 1.00 POLB (0.48) POLBCMA1CTSKCTSSXIAP
SCHEMBL27485070 1.00 POLB (0.48) POLBCMA1CTSKCTSSXIAP
SCHEMBL5696170 1.00 POLB (0.48) POLBCMA1CTSKCTSSXIAP
SCHEMBL3605952 0.97 POLB (0.46) POLBCMA1CTSKCTSSXIAP
SCHEMBL3598521 0.93 CTSK (0.46) POLBCMA1CTSKCTSSHDAC8
SCHEMBL5047656 0.91 DPP4 (0.53) POLBCMA1CTSKCTSSCTSL
SCHEMBL5280818 0.90 CMA1 (0.53) POLBCMA1CTSKCTSSELANE
SCHEMBL10404191 0.90 CMA1 (0.53) POLBCMA1CTSKCTSSELANE
SCHEMBL10404192 0.90 CMA1 (0.53) POLBCMA1CTSKCTSSELANE
SCHEMBL7330566 0.89 KLK5 (0.49) POLBCMA1CTSKCTSSXIAP

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-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 EP 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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 POLB 1623/4885CMA1 147/4885CTSK 170/4885

“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.