SCHEMBL2587430

SCHEMBL2587430

CCOC(=O)[C@@H](CCC(=O)c1cccc(F)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL28907996 1.00 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL28285500 0.91 CTSS (0.48) ALDH1A1MAPTCTSSCTSKLMNA
SCHEMBL5522848 0.91 CTSS (0.48) ALDH1A1MAPTCTSSCTSKLMNA
SCHEMBL31479840 0.91 CTSS (0.48) ALDH1A1MAPTCTSSCTSKLMNA
SCHEMBL2585420 0.89 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL4524077 0.88 CTSS (0.52) CTSSCTSKPPARGPPARDPPARA
SCHEMBL4524084 0.88 CTSS (0.52) CTSSCTSKPPARGPPARDPPARA
SCHEMBL2583795 0.87 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL28528396 0.87 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL2345486 0.87 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EGAAPKM

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 6 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
WO-2019112024-A1 PYRROLIDINE COMPOUND キッセイ薬品工業株式会社 2019-06-13 WO disclosed
EP-3459941-A1 PYRROLIDINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2019-03-27 EP disclosed
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US 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 ALDH1A1 2551/4885MAPT 4032/4885KDM4E 2084/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR ALDH1A1 2551/4885MAPT 4032/4885KDM4E 2084/4885

“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.