SCHEMBL2643932

SCHEMBL2643932

CCC(CC)C(=O)Nc1sc(C(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C)c(C)c1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 1.00
APOBEC3G Q9HC16 1/20 0.45
HPGD P15428 7/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GALK1 P51570 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2643411 0.85 GCGR (0.74) GCGRAPOBEC3GHPGDALDH1A1LMNA
SCHEMBL2644435 0.82 GCGR (0.69) GCGRAPOBEC3GHPGDALDH1A1LMNA
SCHEMBL2642414 0.82 GCGR (0.69) GCGRAPOBEC3GHPGDALDH1A1LMNA
SCHEMBL2643039 0.80 GCGR (0.67) GCGRAPOBEC3GHPGDALDH1A1LMNA
SCHEMBL2643730 0.78 GCGR (0.64) GCGRAPOBEC3GHPGDALDH1A1LMNA
SCHEMBL2648328 0.77 GCGR (0.64) GCGRLMNAHTTNPSR1
SCHEMBL2644114 0.76 GCGR (0.59) GCGRAPOBEC3GHPGDALDH1A1LMNA
SCHEMBL2643333 0.75 GCGR (0.60) GCGRHPGDALDH1A1LMNAHTT
SCHEMBL4037339 0.74 GCGR (1.00) GCGRHPGDALDH1A1LMNAMAPT
SCHEMBL2643400 0.73 GCGR (0.58) GCGRAPOBEC3GHPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097557-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use DUFFY JOSEPH L (US) 2004-05-20 US claimed
US-20040097557-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use DUFFY JOSEPH L (US) 2004-05-20 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 (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-20040097557-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR GCGR 3/4885APOBEC3G 4604/4885HPGD 1674/4885

“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.