SCHEMBL5206190

SCHEMBL5206190

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](F)C[C@H]1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.53
▸ CFD P00746 2/20 0.43
▸ CASP3 P42574 4/20 0.41
▸ MDM2 Q00987 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MDM4 O15151 2/20 0.39
▸ TP53 P04637 2/20 0.39

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
SCHEMBL6970042 1.00 PIN1 (0.53) PIN1CFDCASP3MDM2KMT2A
SCHEMBL5202706 1.00 PIN1 (0.53) PIN1CFDCASP3MDM2KMT2A
SCHEMBL5205826 0.90 PIN1 (0.54) PIN1CFDCASP3MDM2KMT2A
SCHEMBL5205538 0.89 PIN1 (0.53) PIN1CFDCASP3MDM2KMT2A
SCHEMBL5207070 0.89 PIN1 (0.53) PIN1CFDCASP3MDM2KMT2A
SCHEMBL6966679 0.89 PIN1 (0.53) PIN1CFDCASP3MDM2KMT2A
SCHEMBL5205519 0.85 DPP4 (0.49) PIN1
SCHEMBL5204641 0.85 DPP4 (0.49) PIN1
SCHEMBL6970048 0.82 PIN1 (0.42) PIN1CFDKMT2A
SCHEMBL5206185 0.82 PIN1 (0.42) PIN1CFDKMT2A

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 2124/4885CASP3 2798/4885
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES DPP4, DPP9, DPP3 PIN1 804/4885CFD 685/4885CASP3 394/4885
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES CBR3, CBR1, TERT PIN1 2350/4885CFD 983/4885CASP3 2508/4885

“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.

Send feedback