SCHEMBL7010853

SCHEMBL7010853

COC(=S)Cc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2A6 P11509 1/20 0.38
GSK3A P49840 1/20 0.38
MAPK10 P53779 1/20 0.38
RIOK2 Q9BVS4 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.37
CCR2 P41597 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 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
SCHEMBL7016499 0.84 SMN1; SMN2 (0.44) MEN1KMT2ACYP2A6SMN1; SMN2GAA
SCHEMBL9364458 0.81 PTGS1 (0.42) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL11469720 0.80 ALDH1A1 (0.51) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL11463930 0.75 ALDH1A1 (0.50) PTGS1AKR1C3AKR1C2GSK3AMAPK10
SCHEMBL5239907 0.74 PTGS1 (0.45) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL11469526 0.72 PTGS1 (0.59) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL11661526 0.70 CYP2A6 (0.50) KMT2ACYP2A6CCR2
SCHEMBL14018676 0.70 CYP2A6 (0.61) AKR1C3AKR1C2KMT2ACYP2A6SMN1; SMN2
SCHEMBL7010851 0.70 PTGS1 (0.41) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL7009082 0.70 CYP1A2 (0.39) L3MBTL1SMN1; SMN2GAAMAPT

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
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH PTGS1 1597/4885AKR1C3 2276/4885AKR1C2 2322/4885

“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.