SCHEMBL5852771

SCHEMBL5852771

CC(C)Oc1ccc(SC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.47
KMT2A Q03164 2/20 0.45
PARP10 Q53GL7 1/20 0.44
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLA P06280 1/20 0.40
PTGIR P43119 1/20 0.39
PTPN5 P54829 1/20 0.39
ALDH1A1 P00352 2/20 0.38
AR P10275 1/20 0.37
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1157764 0.81 ALDH1A3 (0.50) ALDH1A3KMT2APARP10POLBCYP1A2
SCHEMBL23917765 0.81 PTGIR (0.51) ALDH1A3KMT2APARP10POLBCYP1A2
SCHEMBL17968401 0.81 AR (0.39) KMT2APOLBCYP1A2CYP2D6CYP2C19
SCHEMBL125543 0.80 ALDH1A3 (0.64) ALDH1A3KMT2APARP10POLBCYP1A2
SCHEMBL4192430 0.79 CA1 (0.52) KMT2ACYP1A2GAAPTGIRALDH1A1
SCHEMBL7055444 0.79 ALDH1A3 (0.48) ALDH1A3KMT2APARP10POLBCYP1A2
SCHEMBL23312314 0.77 ALDH1A3 (0.47) ALDH1A3KMT2APARP10POLBCYP1A2
SCHEMBL13154073 0.77 LMNA (0.38) KMT2APOLBCYP1A2CYP2D6CYP2C19
SCHEMBL4017550 0.76 AR (0.36) KMT2ACYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL10345935 0.76 ALDH1A3 (0.45) ALDH1A3KMT2APARP10POLBCYP1A2

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
US-7087764-B2 Process for producing arylsulfenyl halide SHIONOGI & CO., LTD. (JP) 2006-08-08 US disclosed
US-20030195363-A1 Process for producing arylsulfenyl halide AOKI TSUTOMU (JP) 2003-10-16 US disclosed
EP-1072588-B1 PROCESS FOR PRODUCING ARYLSULFENYL HALIDE SHIONOGI & CO (JP) 2003-07-09 EP disclosed
EP-1072588-A1 PROCESS FOR PRODUCING ARYLSULFENYL HALIDE SHIONOGI & CO., LTD. (JP) 2001-01-31 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-20030195363-A1 Process for producing arylsulfenyl halide ALK, CBR1, CYP1B1 ALDH1A3 842/4885KMT2A 351/4885PARP10 603/4885

“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.