SCHEMBL2644577

SCHEMBL2644577

CCC(CC)C(=O)Nc1sc(C(=O)OCc2ccc(Cl)cc2)c(C)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.58
GCGR P47871 2/20 0.56
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
MAPT P10636 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
BRAF P15056 4/20 0.52
HTT P42858 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RXFP1 Q9HBX9 2/20 0.52
LMNA P02545 3/20 0.49
GALK1 P51570 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 2/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL2644182 0.91 APOBEC3G (0.59) APOBEC3GGCGRALDH1A1HPGDMAPT
SCHEMBL2643974 0.90 ALDH1A1 (0.60) APOBEC3GGCGRALDH1A1HPGDMAPT
SCHEMBL2644648 0.89 GCGR (0.55) APOBEC3GGCGRALDH1A1HPGDMAPT
SCHEMBL2644201 0.85 APOBEC3G (0.54) APOBEC3GGCGRALDH1A1HPGDMAPT
SCHEMBL2643032 0.85 APOBEC3G (0.59) APOBEC3GGCGRALDH1A1HPGDMAPT
SCHEMBL2645559 0.84 ALDH1A1 (0.55) APOBEC3GGCGRALDH1A1HPGDMAPT
SCHEMBL2642682 0.83 GCGR (0.50) APOBEC3GGCGRALDH1A1HPGDMAPT
SCHEMBL2644096 0.82 APOBEC3G (0.67) APOBEC3GGCGRALDH1A1HPGDMAPT
SCHEMBL2644366 0.82 APOBEC3G (0.60) APOBEC3GGCGRALDH1A1HPGDMAPT
SCHEMBL2644173 0.81 ALDH1A1 (0.52) APOBEC3GGCGRALDH1A1HPGDMAPT

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 APOBEC3G 4604/4885GCGR 3/4885ALDH1A1 2652/4885

“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.