SCHEMBL917176

SCHEMBL917176

CC(=O)Sc1cc(NC(=O)CCl)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
MAPT P10636 4/20 0.58
JAK2 O60674 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.55
HPGD P15428 5/20 0.55
KMT2A Q03164 2/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
PKM P14618 1/20 0.51
POLB P06746 1/20 0.49
MITF O75030 2/20 0.47
NPC1 O15118 1/20 0.47
XBP1 P17861 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NOD2 Q9HC29 1/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
GSTO1 P78417 3/20 0.44

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
SCHEMBL917057 0.87 POLB (0.50) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL917591 0.85 POLB (0.49) ALDH1A1MAPTJAK2SMN1; SMN2HPGD
SCHEMBL16499804 0.83 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2KMT2APKM
SCHEMBL29417999 0.79 POLB (0.76) ALDH1A1MAPTJAK2SMN1; SMN2HPGD
SCHEMBL6030738 0.79 POLB (0.76) ALDH1A1MAPTJAK2SMN1; SMN2HPGD
SCHEMBL917175 0.77 ALDH1A1 (0.55) ALDH1A1MAPTJAK2SMN1; SMN2HPGD
SCHEMBL6570247 0.76 ALDH1A1 (0.69) ALDH1A1MAPTJAK2SMN1; SMN2HPGD
SCHEMBL4006392 0.76 HPGD (0.69) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL10369646 0.75 KMT2A (0.68) ALDH1A1MAPTJAK2SMN1; SMN2HPGD
SCHEMBL7081917 0.73 NPC1 (0.61) ALDH1A1MAPTJAK2SMN1; SMN2HPGD

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 1024/4885MAPT 2783/4885JAK2 2545/4885

“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.