SCHEMBL2446833

SCHEMBL2446833

CCC(CC)CS(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.61
HSD11B1 P28845 6/20 0.48
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCR5 P51681 1/20 0.41
HTR6 P50406 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RCE1 Q9Y256 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
SCHEMBL18264787 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAACYP2C19MEN1
SCHEMBL2444476 0.82 PSIP1 (0.59) PSIP1HSD11B1POLBALDH1A1TP53
SCHEMBL27933239 0.80 PSIP1 (0.57) PSIP1HSD11B1POLBALDH1A1TP53
SCHEMBL10266897 0.80 PLCG1 (0.55) PSIP1POLBTDP1CYP1A2GAA
SCHEMBL29720307 0.79 PSIP1 (0.55) PSIP1HSD11B1POLBALDH1A1TP53
SCHEMBL778303 0.78 PSIP1 (0.60) PSIP1HSD11B1POLBALDH1A1TP53
SCHEMBL27306175 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAACYP2C19MEN1
SCHEMBL13513035 0.77 PSIP1 (0.48) PSIP1HSD11B1POLBALDH1A1TP53
SCHEMBL12610239 0.77 CA2 (0.48) PSIP1GAA
SCHEMBL180713 0.77 PSIP1 (1.00) PSIP1HSD11B1POLBALDH1A1TP53

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
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
US-20110124603-A1 Trioxane Dimer Sulfur Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-05-26 US 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 (2 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-20110124603-A1 Trioxane Dimer Sulfur Compounds HCCS, SQOR, SFXN1 PSIP1 928/4885HSD11B1 1765/4885POLB 1026/4885
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA PSIP1 1161/4885HSD11B1 4398/4885POLB 4464/4885

“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.