SCHEMBL7511102

SCHEMBL7511102

C/C(=C\CS(=O)(=O)c1ccc(C)cc1)CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.50
ALDH1A1 P00352 7/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.41
TLR9 Q9NR96 1/20 0.40
MCHR1 Q99705 2/20 0.40
MAPT P10636 2/20 0.40
ADAM17 P78536 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL7511105 1.00 CTSK (0.50) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7520847 0.85 PSIP1 (0.47) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL7520850 0.85 PSIP1 (0.47) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL11260460 0.82 CTSK (0.56) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6263109 0.80 TRPV1 (0.51) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6263113 0.80 TRPV1 (0.51) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL31678748 0.80 TRPV1 (0.51) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9770419 0.78 TRPV1 (0.50) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10405654 0.78 TRPV1 (0.50) CTSKALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10921443 0.78 CTSK (0.45) CTSKALDH1A1CYP3A4CYP2C9CYP2C19

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 CTSK 3340/4885ALDH1A1 1133/4885CYP3A4 718/4885

“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.