Sugi Predict

Sugi Predict / Compounds / SCHEMBL3365817

SCHEMBL3365817

SCHEMBL3365817

CCOC(=O)[C@@H](CS(=O)(=O)Cc1ccccc1)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ CTSK P43235 4/20 0.40
▸ CTSS P25774 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL3362214 0.82 METAP2 (0.35) CTSSALDH1A1HPGDHSD17B10
SCHEMBL13113510 0.82 METAP2 (0.35) CTSSALDH1A1HPGDHSD17B10
SCHEMBL3362452 0.81 PPARG (0.57) MAPTALDH1A1PKMHPGDHTT
SCHEMBL3365980 0.81 PPARA (0.57) SYKCTSKCTSSMEN1KMT2A
SCHEMBL6630571 0.78 PPARA (0.57) ATMMAPTCA12CA1CA7
SCHEMBL6630572 0.78 PPARA (0.57) ATMMAPTCA12CA1CA7
SCHEMBL8696199 0.77 CTSS (0.53) MAPTSYKCTSKCTSSCTSL
SCHEMBL8696194 0.77 CTSS (0.53) MAPTSYKCTSKCTSSCTSL
SCHEMBL17713403 0.76 CTSK (0.55) ATMSYKCTSKCTSSSMN1; SMN2
SCHEMBL17713402 0.76 CTSK (0.55) ATMSYKCTSKCTSSSMN1; 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 ATM 4710/4885MAPT 2908/4885CA12 602/4885
US-20060058242-A1 Dipeptide derivatives ANPEP, ECE2, ECE1 ATM 4655/4885MAPT 3400/4885CA12 785/4885
US-20040235754-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 ATM 4710/4885MAPT 2908/4885CA12 602/4885

“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.