SCHEMBL3208340

SCHEMBL3208340

O=C(OCCOC(=O)C(S)c1ccccc1)C(S)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.47
CHRM3 P20309 4/20 0.47
CHRM2 P08172 3/20 0.47
CHRM4 P08173 3/20 0.47
SRC P12931 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 3/20 0.45
CYP1A2 P05177 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
MME P08473 1/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL3212511 0.94 KDM4E (0.52) CHRM1CHRM3CHRM2CHRM4SRC
SCHEMBL5341708 0.92 TDP1 (0.46) CHRM1CHRM3CHRM2CHRM4SRC
SCHEMBL28342981 0.91 HCAR2 (0.50) CHRM1LMNASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL17993791 0.86 TSHR (0.53) CHRM1CHRM3CHRM2CHRM4CYP2D6
SCHEMBL2027598 0.84 MMP8 (0.56) SMN1; SMN2KMT2ATDP1
SCHEMBL13864182 0.83 NPC1 (0.57) KDM4ELMNASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3202604 0.82 MAPK1 (0.52) CHRM1CHRM3CHRM2CHRM4SRC
SCHEMBL5337454 0.82 MAPK1 (0.52) CHRM1CHRM3CHRM2CHRM4SRC
SCHEMBL6231537 0.82 ALDH1A1 (0.48) LMNAKMT2AALDH1A1TDP1MME
SCHEMBL27816525 0.82 ALDH1A1 (0.53) LMNAKMT2AALDH1A1TDP1

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-20100029876-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT, AND PROCESS FOR PRODUCING THIOL COMPOUND SHOWA DENKO K.K. (JP) 2010-02-04 US disclosed
EP-2030989-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT AND METHOD FOR PRODUCING THIOL COMPOUND Showa Denko K.K. (JP) 2009-03-04 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-20100029876-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT, AND PROCESS FOR PRODUCING THIOL COMPOUND TMT1A, CCNT1, MGMT CHRM1 749/4885CHRM3 2826/4885CHRM2 1756/4885

“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.