SCHEMBL20835669

SCHEMBL20835669

CC(C)(C)OC(=O)NC(CCC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.49
CTSS P25774 2/20 0.49
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ITGB3 P05106 10/20 0.45
ITGA2B P08514 10/20 0.45
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
BTK Q06187 1/20 0.41
TSHR P16473 1/20 0.41
CACNA1B Q00975 1/20 0.41
ITGAV P06756 1/20 0.41
ITGB6 P18564 1/20 0.41

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
SCHEMBL20835667 1.00 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL31498517 0.93 CTSS (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL28286745 0.88 ITGB3 (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL28286746 0.88 ITGB3 (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL22451614 0.87 CYP1A2 (0.52) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3621626 0.85 HDAC4 (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL22040793 0.84 HDAC4 (0.44) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL22039566 0.84 HDAC4 (0.44) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL31551112 0.82 CTSK (0.58) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3726757 0.82 CTSK (0.58) CTSKCTSSHDAC4HDAC1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 US disclosed
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed
US-20200299273-A1 PYRROLIDINE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-09-24 US disclosed
EP-3459941-A1 PYRROLIDINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2019-03-27 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 (2 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-20200299273-A1 PYRROLIDINE DERIVATIVE CALCRL, NPY1R, GRPR CTSK 1544/4885CTSS 1379/4885HDAC4 2760/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR CTSK 1544/4885CTSS 1379/4885HDAC4 2760/4885

“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.