SCHEMBL5203233

SCHEMBL5203233

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](F)C[C@H]1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.54
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ELANE P08246 2/20 0.42
PREP P48147 1/20 0.41
PEPD P12955 1/20 0.40
XPNPEP1 Q9NQW7 1/20 0.40
CMA1 P23946 8/20 0.40
HDAC8 Q9BY41 2/20 0.39
CTSS P25774 1/20 0.38
CFD P00746 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
SCHEMBL5206049 0.90 PIN1 (0.57) PIN1CTSKCTSLCTSBELANE
SCHEMBL5205944 0.89 PIN1 (0.53) PIN1CTSKPEPDXPNPEP1HDAC8
SCHEMBL5203122 0.89 PIN1 (0.53) PIN1CTSKPEPDXPNPEP1HDAC8
SCHEMBL20924588 0.88 PIN1 (0.58) PIN1ELANEPEPDXPNPEP1
SCHEMBL5206182 0.87 PIN1 (0.47) PIN1ELANEPEPDXPNPEP1
SCHEMBL5201667 0.81 DPP4 (0.50) CTSKCTSLCTSBCTSS
SCHEMBL5516892 0.80 ITGB3 (0.45) PIN1PEPDXPNPEP1CMA1HDAC8
SCHEMBL5514975 0.79 PIN1 (0.43) PIN1CTSKPEPDXPNPEP1CMA1
SCHEMBL3601920 0.79 HDAC8 (0.47) CTSKCTSLCTSBELANEPREP
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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 US disclosed
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 US disclosed
EP-1746086-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-01-24 EP disclosed
US-20040072892-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
EP-1333025-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-08-06 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 (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-20040072892-A1 Cyanopyrrolidine derivatives CCR9, OPRD1, CBR1 PIN1 4600/4885CTSK 3996/4885CTSL 1763/4885
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES DPP4, DPP9, DPP3 PIN1 804/4885CTSK 512/4885CTSL 53/4885
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES CBR3, CBR1, TERT PIN1 2350/4885CTSK 3512/4885CTSL 217/4885

“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.