SCHEMBL3605952

SCHEMBL3605952

CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CTSK P43235 2/20 0.44
CTSS P25774 1/20 0.44
CMA1 P23946 9/20 0.44
HDAC8 Q9BY41 2/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
BACE1 P56817 1/20 0.43
XIAP P98170 1/20 0.42
KMT2A Q03164 1/20 0.41
ELANE P08246 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL27485070 0.97 POLB (0.48) POLBCTSKCTSSCMA1HDAC8
SCHEMBL5696170 0.97 POLB (0.48) POLBCTSKCTSSCMA1HDAC8
SCHEMBL5696171 0.97 POLB (0.48) POLBCTSKCTSSCMA1HDAC8
SCHEMBL3604870 0.97 POLB (0.48) POLBCTSKCTSSCMA1HDAC8
SCHEMBL3598521 0.92 CTSK (0.46) POLBCTSKCTSSCMA1HDAC8
SCHEMBL5047656 0.88 DPP4 (0.53) POLBCTSKCTSSCMA1CTSL
SCHEMBL10404191 0.87 CMA1 (0.53) POLBCTSKCTSSCMA1KMT2A
SCHEMBL10404192 0.87 CMA1 (0.53) POLBCTSKCTSSCMA1KMT2A
SCHEMBL5280818 0.87 CMA1 (0.53) POLBCTSKCTSSCMA1KMT2A
SCHEMBL7330566 0.86 KLK5 (0.49) POLBCTSKCTSSCMA1HDAC8

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 2 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

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 1623/4885CTSK 170/4885CTSS 232/4885

“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.