SCHEMBL5203085

SCHEMBL5203085

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.51
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
DPP4 P27487 1/20 0.39
PSENEN Q9NZ42 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSL P07711 2/20 0.36

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
SCHEMBL3601920 0.89 HDAC8 (0.47) HDAC8CTSKCTSSOPRM1OPRK1
SCHEMBL25496865 0.85 HDAC8 (0.45) HDAC8HDAC1OPRM1OPRK1CA2
SCHEMBL22280077 0.85 HDAC8 (0.45) HDAC8HDAC1OPRM1OPRK1CA2
SCHEMBL3598521 0.82 CTSK (0.46) HDAC8CTSKCTSSHDAC3HDAC4
SCHEMBL5206279 0.82 DPP4 (0.59) HDAC8CTSKCTSSHDAC3HDAC4
SCHEMBL5205944 0.81 PIN1 (0.53) HDAC8CTSKCTSSHDAC3HDAC4
SCHEMBL5203122 0.81 PIN1 (0.53) HDAC8CTSKCTSSHDAC3HDAC4
SCHEMBL3604870 0.81 POLB (0.48) HDAC8CTSKCTSSKMT2ACTSL
SCHEMBL5696171 0.81 POLB (0.48) HDAC8CTSKCTSSKMT2ACTSL
SCHEMBL5696170 0.81 POLB (0.48) HDAC8CTSKCTSSKMT2ACTSL

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 HDAC8 642/4885CTSK 3996/4885CTSS 3839/4885
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES DPP4, DPP9, DPP3 HDAC8 3140/4885CTSK 512/4885CTSS 467/4885
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES CBR3, CBR1, TERT HDAC8 2713/4885CTSK 3512/4885CTSS 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.