SCHEMBL4147432

SCHEMBL4147432

CC(C)c1csc(N)c1C(=O)OC(C)(C)C.CC(C)c1csc(NC(=O)C(F)(F)F)c1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.37
GRM6 O15303 1/20 0.36
CISD2 Q8N5K1 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
HPGD P15428 3/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
PRKCZ Q05513 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 3/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4150055 0.95 ABCC1 (0.40) ABCC1GRM6ALDH1A1HPGDLMNA
SCHEMBL1796103 0.85 GRM6 (0.46) GRM6CISD2ALDH1A1MAPK1POLB
SCHEMBL4146082 0.81 ANO1 (0.36) ABCC1SMN1; SMN2MAPT
SCHEMBL4141063 0.79 ABCC1 (0.56) ABCC1ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL10714711 0.74 ALDH1A1 (0.53) ABCC1GRM6ALDH1A1MAPK1POLB
SCHEMBL1795920 0.74 PPARG (0.44) ABCC1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL1798527 0.74 ABCC1 (0.39) ABCC1ALDH1A1NPSR1MEN1KMT2A
SCHEMBL8388485 0.72 ABCC1 (0.36) ABCC1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL9097710 0.71 ABCC1 (0.54) ABCC1ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL4147196 0.70 ANO1 (0.53) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 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 (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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents TP53, BRDT, VHL ABCC1 474/4885GRM6 4067/4885CISD2 1730/4885

“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.