SCHEMBL2644074

SCHEMBL2644074

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.65
ALDH1A1 P00352 7/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 3/20 0.57
RAB9A P51151 1/20 0.57
RXFP1 Q9HBX9 2/20 0.55
GCGR P47871 3/20 0.52
BRAF P15056 3/20 0.52
HPGD P15428 6/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GALR3 O60755 1/20 0.48
POLB P06746 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
MAPK1 P28482 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
SCHEMBL2644096 0.90 APOBEC3G (0.67) APOBEC3GALDH1A1MEN1KMT2AHTT
SCHEMBL2644079 0.85 APOBEC3G (0.61) APOBEC3GALDH1A1MEN1KMT2AHTT
SCHEMBL2644453 0.84 APOBEC3G (0.58) APOBEC3GALDH1A1MEN1KMT2AHTT
SCHEMBL2648027 0.83 APOBEC3G (0.57) APOBEC3GALDH1A1MEN1KMT2AHTT
SCHEMBL2644163 0.81 APOBEC3G (0.56) APOBEC3GALDH1A1MEN1KMT2AHTT
SCHEMBL2644114 0.81 GCGR (0.59) APOBEC3GALDH1A1MEN1KMT2ARXFP1
SCHEMBL2643157 0.80 APOBEC3G (0.55) APOBEC3GALDH1A1MEN1KMT2AHTT
SCHEMBL2643974 0.79 ALDH1A1 (0.60) APOBEC3GALDH1A1MEN1KMT2AHTT
SCHEMBL2644182 0.79 APOBEC3G (0.59) APOBEC3GALDH1A1MEN1KMT2AHTT
SCHEMBL2646542 0.78 APOBEC3G (0.53) APOBEC3GALDH1A1MEN1KMT2AHTT

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 4604/4885ALDH1A1 2652/4885MEN1 902/4885

“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.