SCHEMBL4132004

SCHEMBL4132004

CC(=O)N1CCc2c(sc(N)c2C(=O)OC(C)(C)C)C1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.67
KDM4E B2RXH2 7/20 0.57
MAPT P10636 6/20 0.57
BPTF Q12830 1/20 0.55
ALDH1A1 P00352 6/20 0.47
GAA P10253 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HPGD P15428 3/20 0.47
RAD52 P43351 1/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.43

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
SCHEMBL4134826 0.83 ADORA1 (0.74) ADORA1KDM4EMAPTALDH1A1GAA
SCHEMBL13739529 0.83 ADORA1 (0.78) ADORA1KDM4EMAPTALDH1A1GAA
SCHEMBL6997953 0.82 ADORA1 (0.73) ADORA1KDM4EMAPTBPTFALDH1A1
SCHEMBL10856568 0.81 ADORA1 (0.69) ADORA1KDM4EMAPTBPTFALDH1A1
SCHEMBL938054 0.80 ADORA1 (1.00) ADORA1KDM4EMAPTALDH1A1GAA
SCHEMBL351992 0.80 ADORA1 (0.82) ADORA1KDM4EMAPTBPTFALDH1A1
SCHEMBL3499018 0.80 ADORA1 (1.00) ADORA1KDM4EMAPTBPTFALDH1A1
SCHEMBL4151112 0.78 ALDH1A1 (0.57) ADORA1KDM4EMAPTALDH1A1GAA
SCHEMBL2489856 0.77 ALDH1A1 (0.65) ADORA1KDM4EMAPTALDH1A1GAA
SCHEMBL10711946 0.77 ALDH1A1 (0.62) ADORA1KDM4EMAPTALDH1A1GAA

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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US 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 ADORA1 4169/4885KDM4E 2942/4885MAPT 1629/4885

“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.