SCHEMBL5205944

SCHEMBL5205944

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.53
CFD P00746 2/20 0.46
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
PEPD P12955 1/20 0.40
XPNPEP1 Q9NQW7 1/20 0.40
DPP4 P27487 3/20 0.39
CA2 P00918 2/20 0.39
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL5203122 1.00 PIN1 (0.53) PIN1CFDCTSSCTSKHDAC8
SCHEMBL5203233 0.89 PIN1 (0.54) PIN1CFDCTSSCTSKHDAC8
SCHEMBL5206963 0.88 HDAC8 (0.45) PIN1CFDCTSSCTSKHDAC8
SCHEMBL5206049 0.86 PIN1 (0.57) PIN1CFDCTSKHDAC8PEPD
SCHEMBL3598521 0.82 CTSK (0.46) CTSSCTSKHDAC8HDAC3HDAC4
SCHEMBL5202988 0.82 DPP4 (0.59) CTSSCTSKDPP4
SCHEMBL5201959 0.82 DPP4 (0.59) CTSSCTSKDPP4
SCHEMBL5206182 0.81 PIN1 (0.47) PIN1PEPDXPNPEP1
SCHEMBL5203085 0.81 HDAC8 (0.51) CTSSCTSKHDAC8HDAC3HDAC4
SCHEMBL5696170 0.81 POLB (0.48) CTSSCTSKHDAC8KMT2A

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 4600/4885CFD 2124/4885CTSS 3839/4885
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES DPP4, DPP9, DPP3 PIN1 804/4885CFD 685/4885CTSS 467/4885
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES CBR3, CBR1, TERT PIN1 2350/4885CFD 983/4885CTSS 2883/4885

“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.