SCHEMBL2644076

SCHEMBL2644076

CCC(CC)C(=O)Nc1sc(C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)c(C)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.53
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 3/20 0.44
APOBEC3G Q9HC16 1/20 0.42
HPGD P15428 6/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
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
SCHEMBL2644856 0.87 GCGR (0.57) GCGRMEN1KMT2AALDH1A1MAPT
SCHEMBL2645155 0.86 GCGR (0.52) GCGRMEN1KMT2AALDH1A1MAPT
SCHEMBL2644043 0.82 GCGR (0.50) GCGRMEN1KMT2AALDH1A1MAPT
SCHEMBL2645160 0.79 ALDH1A1 (0.58) GCGRMEN1KMT2AALDH1A1MAPT
SCHEMBL2644114 0.78 GCGR (0.59) GCGRMEN1KMT2AALDH1A1MAPT
SCHEMBL2643899 0.77 ALDH1A1 (0.67) GCGRMEN1KMT2AALDH1A1MAPT
SCHEMBL2644435 0.77 GCGR (0.69) GCGRMEN1KMT2AALDH1A1MAPT
SCHEMBL2644020 0.74 GCGR (0.56) GCGRMEN1KMT2AALDH1A1MAPT
SCHEMBL2644453 0.73 APOBEC3G (0.58) GCGRMEN1KMT2AALDH1A1MAPT
SCHEMBL2646338 0.72 GCGR (0.53) GCGRMEN1KMT2AALDH1A1MAPT

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 3/4885MEN1 902/4885KMT2A 4433/4885

“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.