SCHEMBL2644201

SCHEMBL2644201

CCC(CC)C(=O)Nc1sc(C(=O)OCc2ccc3ccccc3c2)c(C)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.54
BRAF P15056 4/20 0.54
ALDH1A1 P00352 8/20 0.52
HPGD P15428 6/20 0.52
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
LMNA P02545 2/20 0.49
RXFP1 Q9HBX9 2/20 0.48
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
GCGR P47871 1/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL2643974 0.89 ALDH1A1 (0.60) APOBEC3GBRAFALDH1A1HPGDMAPT
SCHEMBL2645559 0.86 ALDH1A1 (0.55) APOBEC3GBRAFALDH1A1HPGDMAPT
SCHEMBL2644182 0.86 APOBEC3G (0.59) APOBEC3GBRAFALDH1A1HPGDMAPT
SCHEMBL2644648 0.85 GCGR (0.55) APOBEC3GBRAFALDH1A1HPGDMAPT
SCHEMBL2644577 0.85 APOBEC3G (0.58) APOBEC3GBRAFALDH1A1HPGDMAPT
SCHEMBL2644173 0.83 ALDH1A1 (0.52) APOBEC3GBRAFALDH1A1HPGDMAPT
SCHEMBL2644366 0.82 APOBEC3G (0.60) APOBEC3GBRAFALDH1A1HPGDMAPT
SCHEMBL2643032 0.81 APOBEC3G (0.59) APOBEC3GBRAFALDH1A1HPGDMAPT
SCHEMBL2645155 0.81 GCGR (0.52) APOBEC3GBRAFALDH1A1HPGDMAPT
SCHEMBL2644020 0.79 GCGR (0.56) APOBEC3GBRAFALDH1A1HPGDMAPT

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 4604/4885BRAF 2710/4885ALDH1A1 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.