SCHEMBL431669

SCHEMBL431669

CCN(CC)C(=S)N(C)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
EHMT2 Q96KQ7 3/20 0.43
EHMT1 Q9H9B1 3/20 0.43
ABCB11 O95342 2/20 0.43
HTT P42858 2/20 0.43
GSDMD P57764 2/20 0.43
CA4 P22748 2/20 0.43
CYP2E1 P05181 1/20 0.43
PTGS1 P23219 1/20 0.43
MGLL Q99685 4/20 0.42
ALDH1A1 P00352 4/20 0.42
PHGDH O43175 3/20 0.42
ALDH2 P05091 3/20 0.42
CYP3A4 P08684 2/20 0.42
PLIN1 O60240 1/20 0.42
GMNN O75496 1/20 0.42
TRPA1 O75762 1/20 0.42

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
SCHEMBL15323 0.78 CA12 (0.56) CA12CA1CA2CA9EHMT2
SCHEMBL9665272 0.77 TAS2R38 (0.53) CA12CA1CA2CA9EHMT2
SCHEMBL19311794 0.75
SCHEMBL9665479 0.74 CA12 (0.46) CA12CA1CA2CA9EHMT2
SCHEMBL10443252 0.69
SCHEMBL96554 0.67
SCHEMBL8663660 0.67
SCHEMBL14310995 0.67 EHMT2 (0.39) CA12CA1CA2CA9EHMT2
SCHEMBL21051277 0.67
Sulfurous Acid SCHEMBL29190752 0.67 CA1 (0.43) CA12CA1CA2CA9EHMT2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 US disclosed
EP-2370402-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS Synta Pharmaceuticals Corp. (US) 2011-10-05 EP disclosed
WO-2010065512-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-06-10 WO disclosed
WO-2010065512-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-06-10 WO 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-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS PKD1, PKD2, PCNA CA12 700/4885CA1 2522/4885CA2 415/4885

“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.