SCHEMBL20150254

SCHEMBL20150254

Cc1c(-c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)nn(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.39
TYK2 P29597 1/20 0.39
POLB P06746 3/20 0.38
THRA P10827 4/20 0.35
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
GRK5 P34947 1/20 0.35
LIMK1 P53667 1/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MITF O75030 1/20 0.35
ALPL P05186 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
VCAM1 P19320 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL20150253 0.88 THRB (0.40) THRBPOLBTHRACHEK1DAPK3
SCHEMBL20150252 0.81 TYK2 (0.42) THRBTYK2POLBTHRAMAPT
SCHEMBL20092631 0.79 TYK2 (0.41) TYK2POLBALDH1A1LMNAHTT
SCHEMBL31063878 0.73 THRB (0.39) THRBPOLBTHRAMAPTALDH1A1
SCHEMBL15703077 0.70 TSHR (0.60) THRBSMN1; SMN2VCAM1MEN1KMT2A
SCHEMBL30908542 0.70 TSHR (0.60) THRBSMN1; SMN2VCAM1MEN1KMT2A
SCHEMBL20150212 0.67 ERN1 (0.45) THRBPOLBMAPTLMNAHTT
SCHEMBL17785771 0.66 VCAM1 (0.44) THRBPOLBVCAM1MEN1KMT2A
SCHEMBL11878819 0.66 TSHR (0.56) THRBPOLBMAPTALDH1A1VCAM1
SCHEMBL11879430 0.66 VCAM1 (0.48) THRBMAPTALDH1A1LMNASMN1; 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 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 THRB 758/4885TYK2 1/4885POLB 1657/4885

“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.