SCHEMBL16019042

SCHEMBL16019042

Cc1nc(C(N)C(=O)O)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
ECE1 P42892 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GRM1 Q13255 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL5966877 0.81 SMN1; SMN2 (0.36) KDM4ERAB9APOLBGAAHTT
SCHEMBL27486842 0.80 MEN1 (0.42) KDM4ERAB9APOLBMAPTTDP1
SCHEMBL7192491 0.79 HSD17B10 (0.46) KDM4ERAB9AMAPTKDM4AKDM4B
SCHEMBL23451056 0.77 ECE1 (0.36) KDM4ERAB9AGAAECE1MAPT
SCHEMBL4476254 0.75 POLB (0.40) KDM4ERAB9APOLBGAAHTT
SCHEMBL755255 0.75 GAA (0.37) KDM4ERAB9APOLBGAAHTT
SCHEMBL13046072 0.74
SCHEMBL2710525 0.74
SCHEMBL27673999 0.73 GAA (0.33) KDM4ERAB9APOLBGAAHTT
SCHEMBL11922835 0.73 TDP1 (0.38) KDM4ERAB9APOLBGAAHTT

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
US-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 US disclosed
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2014-09-11 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-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP COMT, CEP170, SLC6A3 KDM4E 1612/4885RAB9A 463/4885POLB 2722/4885

“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.