SCHEMBL7514296

SCHEMBL7514296

O=S(O)c1cccc(Cl)c1.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 1/20 0.43
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTR3E A5X5Y0 2/20 0.36
HTR3B O95264 2/20 0.36
HTR3A P46098 2/20 0.36
HTR3D Q70Z44 2/20 0.36
HTR3C Q8WXA8 2/20 0.36
TP53 P04637 1/20 0.36
ADRB1 P08588 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
SCHEMBL10344176 0.98 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19TSHRPARP1
SCHEMBL7513094 0.96 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19TSHRPARP1
SCHEMBL1466278 0.96 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19TSHRPARP1
SCHEMBL1466275 0.96 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19TSHRPARP1
SCHEMBL10775693 0.81 HPGD (0.32) CYP3A4ALDH1A1LMNA
SCHEMBL1466276 0.74 TSHR (0.43) CYP1A2CYP3A4CYP2C19TSHRPARP1
SCHEMBL7521244 0.74 ACHE (0.46) TSHRPARP1ALDH1A1MEN1LMNA
Potassium Ion SCHEMBL7513091 0.74 TSHR (0.43) CYP1A2CYP3A4CYP2C19TSHRPARP1
Lithium Ion SCHEMBL7514292 0.74 TSHR (0.43) CYP1A2CYP3A4CYP2C19TSHRPARP1
SCHEMBL10344428 0.74 TSHR (0.44) CYP3A4TSHRALDH1A1MEN1MAPT

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
EP-1231197-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-08-14 EP disclosed
US-20020107422-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2002-08-08 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-20020107422-A1 Process for producing allyl halide compound ENY2, ZYX, RPS4Y1 CYP1A2 198/4885CYP3A4 718/4885CYP2C19 857/4885

“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.