SCHEMBL20150156

SCHEMBL20150156

Cc1cnn(-c2ccc([N+](=O)[O-])c(N(C)S(C)(=O)=O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.45
PKM P14618 2/20 0.38
CYP19A1 P11511 7/20 0.36
HSP90AA1 P07900 1/20 0.36
KAT6A Q92794 2/20 0.35
POLB P06746 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 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
SCHEMBL20092026 0.81 TYK2 (0.48) TYK2KAT6AALDH1A1
SCHEMBL20150159 0.80 HTT (0.51) TYK2CYP19A1KAT6APOLBALDH1A1
SCHEMBL20225763 0.77 TSHR (0.53) PKMCYP19A1POLBMCOLN3ALDH1A1
SCHEMBL1225519 0.76 ALDH1A1 (0.45) PKMHSP90AA1MCOLN3ALDH1A1CYP3A4
SCHEMBL23154022 0.74 HSP90AA1 (0.39) PKMHSP90AA1KAT6AALDH1A1CYP3A4
SCHEMBL20150155 0.74 HPGD (0.53) POLBALDH1A1CYP3A4
SCHEMBL26124496 0.73 HPGD (0.59) POLBALDH1A1CYP3A4
SCHEMBL20150151 0.73 ERN1 (0.45) TYK2CYP19A1
SCHEMBL27181513 0.71 MAPT (0.63) PKMALDH1A1
SCHEMBL3545162 0.71 MAPT (0.61) POLBALDH1A1

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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885PKM 1134/4885CYP19A1 2724/4885

“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.