SCHEMBL3362452

SCHEMBL3362452

CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.57
PPARA Q07869 10/20 0.57
PPARD Q03181 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
ELANE P08246 1/20 0.47
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
METAP2 P50579 1/20 0.47
IDO1 P14902 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3365980 0.83 PPARA (0.57) PPARGPPARA
SCHEMBL3362661 0.82 METAP2 (0.49) PPARGPPARAELANEMETAP2
SCHEMBL3361630 0.82 METAP2 (0.47) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL3365817 0.81 ATM (0.41) PPARGPPARAHTTALDH1A1MAPT
SCHEMBL3361632 0.80 METAP2 (0.45) PPARGPPARAPPARDMAPTELANE
SCHEMBL8696194 0.78 CTSS (0.53) PPARGPPARAMAPT
SCHEMBL8696199 0.78 CTSS (0.53) PPARGPPARAMAPT
SCHEMBL28896972 0.78 PPARG (0.65) PPARGPPARAPPARDCYP1A2CYP2C9
SCHEMBL17713403 0.78 CTSK (0.55) PPARGPPARASMN1; SMN2
SCHEMBL17713402 0.78 CTSK (0.55) PPARGPPARASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239268-A1 Dipeptide derivatives Novartis AG (CH) 2010-10-13 EP disclosed
US-20060058242-A1 Dipeptide derivatives FINK CYNTHIA A 2006-03-16 US disclosed
US-6992105-B2 Dipeptide derivatives NOVARTIS AG (CH) 2006-01-31 US disclosed
US-20040235754-A1 Dipeptide derivatives NOVARTIS AG (CH) 2004-11-25 US disclosed
US-6777443-B2 Dipeptide derivatives NOVARTIS AG (CH) 2004-08-17 US disclosed
EP-1392720-A2 DIPEPTIDE DERIVATIVES HAVING A N-TERMINAL 2-THIOACYL GROUP AS VASOPEPTIDASE INHIBITORS Novartis AG (CH) 2004-03-03 EP disclosed
US-20020183260-A1 Dipeptide derivatives NOVARTIS AG (CH) 2002-12-05 US disclosed
WO-2002092622-A2 DIPEPTIDE DERIVATIVES HAVING A N-TERMINAL 2-THIOACYL GROUP AS VASOPEPTIDASE INHIBITORS NOVARTIS AG (CH) 2002-11-21 WO 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-20020183260-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 PPARG 4882/4885PPARA 4863/4885PPARD 4681/4885
US-20060058242-A1 Dipeptide derivatives ANPEP, ECE2, ECE1 PPARG 4878/4885PPARA 4773/4885PPARD 4416/4885
US-20040235754-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 PPARG 4882/4885PPARA 4863/4885PPARD 4681/4885

“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.