SCHEMBL5778845

SCHEMBL5778845

CC(=O)N1CSC[C@@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.57
ATM Q13315 1/20 0.47
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PREP P48147 5/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6482583 1.00 ACE (0.57) ACEATMHSD17B10KDM4EALDH1A1
SCHEMBL1444662 1.00 ACE (0.57) ACEATMHSD17B10KDM4EALDH1A1
SCHEMBL2369794 0.98 ACE (0.56) ACEATMHSD17B10KDM4EALDH1A1
Methenamine SCHEMBL11110247 0.92 ACE (0.51) ACEATMHSD17B10KDM4EALDH1A1
SCHEMBL1652402 0.84 ACE (0.54) ACEATMHSD17B10ALDH1A1KMT2A
SCHEMBL19253042 0.84 ACE (0.54) ACEATMHSD17B10ALDH1A1KMT2A
SCHEMBL9409947 0.84 ACE (0.54) ACEATMHSD17B10ALDH1A1KMT2A
SCHEMBL20718946 0.81 ACE (0.53) ACEATMHSD17B10KMT2ADPP4
SCHEMBL19075531 0.80 ACE (0.51) ACEATMHSD17B10ALDH1A1KMT2A
SCHEMBL19075639 0.80 ACE (0.51) ACEATMHSD17B10ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed
EP-1329451-B1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES (JP) 2006-08-23 EP disclosed
US-6919349-B2 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES, INC. (JP) 2005-07-19 US disclosed
US-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES INC. (JP) 2004-05-06 US disclosed
EP-1329451-A1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-23 EP disclosed
US-20020091142-A1 Alpha4beta1 and alpha4beta7 integrin inhibitors COOKE NIGEL GRAHAM (US) 2002-07-11 US disclosed
WO-2001068586-A2 α4β1 AND α4β7 INTEGRIN INHIBITORS NOVARTIS AG (CH) 2001-09-20 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 ACE 1083/4885ATM 4395/4885HSD17B10 2827/4885
US-20020091142-A1 Alpha4beta1 and alpha4beta7 integrin inhibitors ITGB1, ITGB4, ITGB7 ACE 3313/4885ATM 4530/4885HSD17B10 3132/4885
US-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient VCAM1, ICAM1, SELL ACE 303/4885ATM 2502/4885HSD17B10 1454/4885

“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.