SCHEMBL2585420

SCHEMBL2585420

CCOC(=O)[C@@H](CCC(=O)c1cc(F)cc(F)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN9A Q15858 1/20 0.38
PPARG P37231 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
SCHEMBL28534283 0.92 ALDH1A1 (0.54) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28534281 0.92 ALDH1A1 (0.54) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2346622 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2346620 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2587430 0.89 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28907996 0.89 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2345486 0.88 ALDH1A1 (0.59) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2345494 0.88 ALDH1A1 (0.59) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2581513 0.87 CYP1A2 (0.48) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4521862 0.87 ACE (0.46) ALDH1A1CTSSCTSKPPARGPPARA

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
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
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 4032/4885CYP1A2 3219/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR ALDH1A1 2551/4885MAPT 4032/4885CYP1A2 3219/4885

“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.