SCHEMBL3601920

SCHEMBL3601920

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(F)(F)C[C@H]1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.47
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ELANE P08246 2/20 0.42
CMA1 P23946 7/20 0.40
PREP P48147 1/20 0.39
CTSS P25774 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL22280077 0.89 HDAC8 (0.45) HDAC8ELANEOPRM1OPRK1KMT2A
SCHEMBL25496865 0.89 HDAC8 (0.45) HDAC8ELANEOPRM1OPRK1KMT2A
SCHEMBL5203085 0.89 HDAC8 (0.51) HDAC8CTSKCTSLCTSBCTSS
SCHEMBL3601919 0.83 CNR2 (0.39) HDAC8OPRM1OPRK1
SCHEMBL8312588 0.82 CTSK (0.44) HDAC8CTSKCTSLCTSBELANE
SCHEMBL13560013 0.82 HDAC8 (0.43) HDAC8CTSKCTSLCTSBELANE
SCHEMBL22169449 0.81 CTSK (0.50) HDAC8CTSKCTSLCTSBELANE
SCHEMBL3611500 0.81 CTSK (0.50) HDAC8CTSKCTSLCTSBELANE
SCHEMBL5203233 0.79 PIN1 (0.54) HDAC8CTSKCTSLCTSBELANE
SCHEMBL8143604 0.79 CMA1 (0.53) CTSKCTSLCTSBELANECMA1

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 HDAC8 2170/4885CTSK 170/4885CTSL 222/4885

“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.