SCHEMBL2646338

SCHEMBL2646338

CCC(CC)C(=O)Nc1sc(C(=O)N(Cc2ccc3ccccc3c2)C(CO)C(C)(C)C)c(C)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.53
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRAF P15056 2/20 0.38
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL2644020 0.91 GCGR (0.56) GCGRALDH1A1LMNAMEN1KMT2A
SCHEMBL2645155 0.86 GCGR (0.52) GCGRALDH1A1LMNAMEN1KMT2A
SCHEMBL2644258 0.80 GCGR (0.49) GCGRALDH1A1LMNAMEN1KMT2A
SCHEMBL2644435 0.78 GCGR (0.69) GCGRALDH1A1LMNAMEN1KMT2A
SCHEMBL2644201 0.78 APOBEC3G (0.54) GCGRALDH1A1LMNAMEN1KMT2A
SCHEMBL2644856 0.77 GCGR (0.57) GCGRALDH1A1LMNAMEN1KMT2A
SCHEMBL2643785 0.76 GCGR (0.55) GCGRALDH1A1LMNAMEN1KMT2A
SCHEMBL2645160 0.75 ALDH1A1 (0.58) GCGRALDH1A1LMNAMEN1KMT2A
SCHEMBL2643899 0.73 ALDH1A1 (0.67) GCGRALDH1A1LMNAMEN1KMT2A
SCHEMBL2644076 0.72 GCGR (0.53) GCGRALDH1A1LMNAMEN1KMT2A

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 3/4885ALDH1A1 2652/4885LMNA 3295/4885

“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.