SCHEMBL1796103

SCHEMBL1796103

CC(C)c1csc(N)c1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.46
ALDH1A1 P00352 10/20 0.41
MAPK1 P28482 4/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 6/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRKCZ Q05513 7/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 4/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 6/20 0.36
TSHR P16473 1/20 0.36
PRKCI P41743 1/20 0.36
CISD2 Q8N5K1 1/20 0.36
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL4147432 0.85 ABCC1 (0.37) GRM6ALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL10714711 0.83 ALDH1A1 (0.53) GRM6ALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL688952 0.79 ALDH1A1 (0.65) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL4150055 0.78 ABCC1 (0.40) GRM6ALDH1A1MAPTNPSR1MEN1
SCHEMBL1796732 0.78 ABCC1 (0.46) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL6030200 0.77 GRM6 (0.38) GRM6ALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL27580623 0.72 GRM6 (0.43) GRM6ALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL27833792 0.71 GRM6 (0.39) GRM6ALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL11887253 0.71 FABP3 (0.56) GRM6ALDH1A1MAPK1MAPTNPSR1
SCHEMBL14699510 0.71 GRM6 (0.55) GRM6ALDH1A1MAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US claimed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP claimed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 US disclosed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP disclosed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 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 (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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents TP53, BRDT, VHL GRM6 4067/4885ALDH1A1 1202/4885MAPK1 4435/4885
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 GRM6 4307/4885ALDH1A1 800/4885MAPK1 264/4885

“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.