SCHEMBL3167254

SCHEMBL3167254

CCCCCCCCOc1ccc(OCCCCCCCC)c2sccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL14673245 0.85 TLR8 (0.38) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL16292355 0.79 NR5A1 (0.41) THRATHRBNR5A1
SCHEMBL15202667 0.79 NR5A1 (0.41) THRATHRBNR5A1
SCHEMBL1659824 0.79 NR5A1 (0.41) THRATHRBNR5A1
SCHEMBL17427778 0.77 NR5A1 (0.38) THRATHRBNR5A1CDK1CDK2
SCHEMBL1498241 0.77 TSHR (0.35) PPARGPPARAMEN1KMT2ANR1I2
SCHEMBL2034460 0.77 TSHR (0.35) PPARGPPARAMEN1KMT2ANR1I2
SCHEMBL3103832 0.75 NR5A1 (0.43) MEN1KMT2ATHRBCYP2C9NR1I2
SCHEMBL1279017 0.75 NR5A1 (0.43) MEN1KMT2ATHRBCYP2C9NR1I2
SCHEMBL5133914 0.75 NR5A1 (0.43) MEN1KMT2ATHRBCYP2C9NR1I2

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
EP-1334956-B1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL CO (JP) 2010-03-17 EP disclosed
US-6916938-B2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-12 US disclosed
US-20030171589-A1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-11 US disclosed
EP-1334956-A2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-13 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-20030171589-A1 Method for preparing sulfone or sulfoxide compound TST, SDHB, GPX4 PPARG 430/4885PPARA 1113/4885CNR1 4095/4885

“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.