SCHEMBL2644158

SCHEMBL2644158

Cc1c(C(=O)OC(C)(C)C)sc(NC(=O)C2CCC2)c1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.61
▸ HPGD P15428 4/20 0.61
▸ MAPT P10636 3/20 0.61
▸ RXFP1 Q9HBX9 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 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
SCHEMBL2644704 0.98 ALDH1A1 (0.65) ALDH1A1HPGDMAPTRXFP1SMN1; SMN2
SCHEMBL2644495 0.97 ALDH1A1 (0.63) ALDH1A1HPGDMAPTRXFP1SMN1; SMN2
SCHEMBL2645060 0.81 RXFP1 (0.53) ALDH1A1HPGDMAPTRXFP1SMN1; SMN2
SCHEMBL2644226 0.79 APOBEC3G (0.72) ALDH1A1HPGDMAPTRXFP1SMN1; SMN2
SCHEMBL1315750 0.77 ALDH1A1 (0.55) ALDH1A1HPGDMAPTRXFP1SMN1; SMN2
SCHEMBL2644079 0.76 APOBEC3G (0.61) ALDH1A1HPGDMAPTRXFP1SMN1; SMN2
SCHEMBL2644504 0.75 ALDH1A1 (0.97) ALDH1A1HPGDMAPTRXFP1SMN1; SMN2
SCHEMBL1317197 0.72 RXFP1 (0.48) ALDH1A1HPGDMAPTRXFP1SMN1; SMN2
SCHEMBL1620208 0.72 HPGD (0.53) ALDH1A1HPGDMAPTRXFP1SMN1; SMN2
SCHEMBL1622788 0.71 ADORA2A (0.60) ALDH1A1HPGDMAPTRXFP1SMN1; SMN2

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 1674/4885MAPT 3828/4885

“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.

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