SCHEMBL7016499

SCHEMBL7016499

COC(=S)CCc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A3 Q01959 1/20 0.44
FFAR1 O14842 5/20 0.39
PPARG P37231 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7010853 0.84 PTGS1 (0.41) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL7016529 0.80 FFAR1 (0.41) SMN1; SMN2LMNAMAPTKDM4ENPC1
SCHEMBL7009082 0.77 CYP1A2 (0.39) SMN1; SMN2LMNAMAPTKDM4ENPC1
SCHEMBL17996742 0.73 FFAR1 (0.57) CYP1A2FFAR1PPARG
SCHEMBL7011165 0.73 HDAC3 (0.47) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL16596060 0.73 CYP4F2 (0.56) SMN1; SMN2LMNAMAPTKDM4ENPC1
SCHEMBL7014336 0.73 HTR1B (0.48) SMN1; SMN2LMNAMAPTKDM4ENPC1
SCHEMBL7016526 0.72 CYP1A2 (0.44) SMN1; SMN2LMNAMAPTKDM4ENPC1
SCHEMBL11269216 0.72 MAPT (0.64) MAPTKDM4ECYP1A2CYP3A4KMT2A
SCHEMBL16414453 0.72 KDM4E (0.47) MAPTKDM4ECYP1A2ALDH1A1GAA

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 SMN1; SMN2 3830/4885LMNA 3485/4885MAPT 4719/4885

“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.