SCHEMBL5909552

SCHEMBL5909552

Cc1nc(Cl)c(S)c(C(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
EGLN1 Q9GZT9 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
PDK2 Q15119 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PIN1 Q13526 2/20 0.33
KMO O15229 1/20 0.32
CYP2C9 P11712 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
PTPRB P23467 1/20 0.32
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7518054 0.79 HCAR2 (0.39) TDP1HCAR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL8550931 0.77 ALDH1A1 (0.41) ALDH1A1MAPK1TSHRMAPTKMT2A
SCHEMBL1124105 0.75 TDP1 (0.35) TDP1PDK2
SCHEMBL7519075 0.73 TDP1 (0.39) TDP1HCAR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL27565409 0.72 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPK1HPGDTSHR
SCHEMBL10004861 0.72 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPK1HPGDTSHR
SCHEMBL5477906 0.71 ALDH1A1 (0.40) TDP1HCAR2ALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL10559934 0.71 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1HPGDTSHR
SCHEMBL9091064 0.70 TDP1 (0.56) TDP1HCAR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL20298329 0.70 TDP1 (0.47) TDP1HCAR2ALDH1A1SMN1; SMN2MAPK1

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-20060199840-A1 Chemical derivatives and their application as antitelomerase agent AVENTIS PHARMA S.A. (FR) 2006-09-07 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-20060199840-A1 Chemical derivatives and their application as antitelomerase agent NTPCR, DPYD, NME1 TDP1 1249/4885HCAR2 2816/4885ALDH1A1 528/4885

“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.