SCHEMBL5757750

SCHEMBL5757750

NCc1ccc2c(c1)CCS2(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.34
ENPP2 Q13822 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
SMAD3 P84022 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAD52 P43351 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL5758780 0.83 GRIN2B (0.33) CA12CA2CA3CA4CA6
SCHEMBL5757756 0.80 CA1 (0.42) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL16880255 0.80 CA2 (0.42) KDM4EALDH1A1LMNACA2PTGDR2
Hydrochloric Acid SCHEMBL29243840 0.79 CA1 (0.41) KMT2AGAARAD52RXFP1CA12
SCHEMBL1495547 0.69 CA1 (0.54) LMNAGAAHRH3CA12CA1
SCHEMBL5504129 0.67 KMT2A (0.47) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL29673223 0.66 KMT2A (0.50) KMT2AKDM4EMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5957846 0.66 KMT2A (0.50) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL7410245 0.66 KMT2A (0.50) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL5957796 0.66 KMT2A (0.46) KMT2AKDM4EMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 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-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 ABAT 3687/4885ENPP2 86/4885KMT2A 4487/4885

“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.