SCHEMBL4422079

SCHEMBL4422079

CNc1c(C(=O)O)sc(S(C)(=O)=O)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 7/20 0.51
GRIA2 P42262 3/20 0.51
FNTA P49354 12/20 0.38
FNTB P49356 12/20 0.38
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL5731532 0.78 GRIA4 (0.53) GRIA4GRIA2FNTAFNTBALDH1A1
SCHEMBL3404253 0.78 GRIA4 (0.53) GRIA4GRIA2ALDH1A1LMNAMAPK1
SCHEMBL4412987 0.77 GRIA4 (0.55) GRIA4GRIA2FNTAFNTBALDH1A1
SCHEMBL3206052 0.76 GRIA4 (0.61) GRIA4GRIA2FNTAFNTBALDH1A1
SCHEMBL4418655 0.72 FNTA (0.34) GRIA4GRIA2FNTAFNTB
SCHEMBL3404543 0.70 GRIA2 (0.42) GRIA4GRIA2ALDH1A1MAPK1KMT2A
SCHEMBL3126306 0.68 GRIA4 (1.00) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL4417287 0.68 PIK3CA (0.58) GRIA4GRIA2ALDH1A1
SCHEMBL1552287 0.68 GRIA2 (0.43) GRIA4GRIA2ALDH1A1MAPK1
SCHEMBL6796039 0.65 ALDH1A1 (0.58) GRIA4GRIA2ALDH1A1LMNAMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 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-20090325925-A1 Thiophenes and uses thereof PIK3CA, JAK2, MTOR GRIA4 2350/4885GRIA2 2570/4885FNTA 3475/4885

“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.