SCHEMBL917173

SCHEMBL917173

CC(=O)Nc1cc(SC(C)=O)c(C)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
PGK1 P00558 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ROCK2 O75116 1/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
PDE7A Q13946 1/20 0.36

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
SCHEMBL917054 0.85 CYP3A4 (0.46) ALDH1A1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL917588 0.81 HDAC1 (0.42) ALDH1A1CA1CA2CA9KMT2A
SCHEMBL18622116 0.79 ALDH1A1 (0.49) ALDH1A1PGK1CA1CA2CA9
SCHEMBL9710279 0.79 CA12 (0.36) ALDH1A1CA1CA2CA9KMT2A
SCHEMBL5085415 0.79 POLB (0.42) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL10242037 0.76 CA1 (0.49) ALDH1A1PGK1CA1CA2CA9
SCHEMBL7081914 0.75 ALDH1A1 (0.49) ALDH1A1PGK1CA1CA2CA9
SCHEMBL23952236 0.73 ALDH1A1 (0.48) ALDH1A1PGK1CA1CA2CA9
SCHEMBL5082284 0.73 POLB (0.41) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL202652 0.73 ALDH1A1 (0.53) ALDH1A1PGK1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803712-B1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2015-12-30 EP disclosed
US-7872036-B2 3-triazolylphenyl sulfide derivative and insecticide, miticide and nematicide containing it as an active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-18 US disclosed
US-20090076282-A1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2009-03-19 US disclosed
EP-1803712-A1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-04 EP 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-20090076282-A1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT CBR3, CBS, AHCYL1 ALDH1A1 1024/4885PGK1 3925/4885CA1 965/4885

“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.