SCHEMBL17697371

SCHEMBL17697371

CCC1CCc2c(sc(N(N)C(=O)C(=O)O)c2C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 4/20 0.50
GAA P10253 1/20 0.50
AIP O00170 1/20 0.47
SGTA O43765 1/20 0.47
TOMM70 O94826 1/20 0.47
STIP1 P31948 1/20 0.47
PPP5C P53041 1/20 0.47
DNAJC7 Q99615 1/20 0.47
STUB1 Q9UNE7 1/20 0.47
TNIK Q9UKE5 1/20 0.45
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL17189283 0.78 ALDH1A1 (0.72) ALDH1A1MAPTHPGDGAAAIP
SCHEMBL8293361 0.73 PTPN1 (0.69) ALDH1A1MAPTHPGDAIPSGTA
SCHEMBL1067537 0.70 ALDH1A1 (0.80) ALDH1A1MAPTHPGDGAAAIP
SCHEMBL14478808 0.67 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGAAAIP
SCHEMBL19444686 0.65 MAPT (0.53) ALDH1A1MAPTHPGDGAAAIP
SCHEMBL5453282 0.63 AIP (0.71) ALDH1A1MAPTHPGDAIPSGTA
SCHEMBL5451446 0.63 AIP (0.71) ALDH1A1MAPTHPGDAIPSGTA
SCHEMBL5460515 0.62 AIP (0.69) ALDH1A1MAPTHPGDAIPSGTA
SCHEMBL15259283 0.62 PTPN1 (0.66) AIPSGTATOMM70STIP1PPP5C
SCHEMBL5739664 0.60 PTGER4 (0.42) ALDH1A1MAPTHPGDGAAAIP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108102-A1 Novel GLP-1 Derivatives NOVO NORDISK AS (DK) 2016-04-21 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 (1 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-20160108102-A1 Novel GLP-1 Derivatives GLP1R, GIPR, IAPP ALDH1A1 3523/4885MAPT 4364/4885HPGD 3091/4885

“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.