SCHEMBL20150252

SCHEMBL20150252

Cc1cc(-c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)nn1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.42
POLB P06746 2/20 0.41
THRB P10828 4/20 0.41
NPY5R Q15761 1/20 0.37
THRA P10827 1/20 0.36
MITF O75030 1/20 0.35
ALPL P05186 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
APOBEC3A P31941 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
VCAM1 P19320 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20150254 0.81 THRB (0.39) TYK2POLBTHRBTHRAMITF
SCHEMBL20150253 0.79 THRB (0.40) POLBTHRBTHRAMITFALPL
SCHEMBL20092249 0.79 TYK2 (0.43) TYK2NPY5RMAPTL3MBTL1
SCHEMBL31063878 0.74 THRB (0.39) POLBTHRBTHRAMAPTVCAM1
SCHEMBL30908542 0.71 TSHR (0.60) THRBSMN1; SMN2VCAM1MEN1KMT2A
SCHEMBL15703077 0.71 TSHR (0.60) THRBSMN1; SMN2VCAM1MEN1KMT2A
SCHEMBL20150212 0.68 ERN1 (0.45) POLBTHRBMAPTHTTVCAM1
SCHEMBL11878819 0.67 TSHR (0.56) POLBTHRBMAPTL3MBTL1VCAM1
SCHEMBL11879430 0.67 VCAM1 (0.48) THRBMAPTSMN1; SMN2VCAM1MEN1
SCHEMBL17785771 0.67 VCAM1 (0.44) POLBTHRBVCAM1MEN1KMT2A

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 1/4885POLB 1657/4885THRB 758/4885

“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.