SCHEMBL2644173

SCHEMBL2644173

CCC(CC)C(=O)Nc1sc(C(=O)OCc2cccc(C(F)(F)F)c2)c(C)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
HPGD P15428 4/20 0.52
APOBEC3G Q9HC16 1/20 0.52
BRAF P15056 4/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
GCGR P47871 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL2644648 0.87 GCGR (0.55) ALDH1A1HPGDAPOBEC3GBRAFMEN1
SCHEMBL2644201 0.83 APOBEC3G (0.54) ALDH1A1HPGDAPOBEC3GBRAFMEN1
SCHEMBL2644182 0.82 APOBEC3G (0.59) ALDH1A1HPGDAPOBEC3GBRAFMEN1
SCHEMBL2644577 0.81 APOBEC3G (0.58) ALDH1A1HPGDAPOBEC3GBRAFMEN1
SCHEMBL2644366 0.78 APOBEC3G (0.60) ALDH1A1HPGDAPOBEC3GBRAFMEN1
SCHEMBL2643032 0.78 APOBEC3G (0.59) ALDH1A1HPGDAPOBEC3GBRAFMEN1
SCHEMBL2644096 0.77 APOBEC3G (0.67) ALDH1A1HPGDAPOBEC3GBRAFMEN1
SCHEMBL2644079 0.74 APOBEC3G (0.61) ALDH1A1HPGDAPOBEC3GBRAFMEN1
SCHEMBL2645160 0.71 ALDH1A1 (0.58) ALDH1A1HPGDAPOBEC3GBRAFMEN1
SCHEMBL2643899 0.70 ALDH1A1 (0.67) ALDH1A1HPGDAPOBEC3GBRAFMEN1

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 ALDH1A1 2652/4885HPGD 1674/4885APOBEC3G 4604/4885

“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.