SCHEMBL20150201

SCHEMBL20150201

CC1(C)CSC(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)=N1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.44
THRB P10828 10/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
THRA P10827 7/20 0.35
VCAM1 P19320 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
SCHEMBL20150268 0.70 LMNA (0.40) THRBLMNAMAPTHTTTHRA
SCHEMBL20410839 0.67 SMN1; SMN2 (0.35) TYK2LMNA
SCHEMBL30908542 0.66 TSHR (0.60) THRBVCAM1
SCHEMBL15703077 0.66 TSHR (0.60) THRBVCAM1
SCHEMBL20150212 0.66 ERN1 (0.45) THRBLMNAMAPTHTTVCAM1
SCHEMBL31063878 0.65 THRB (0.39) THRBLMNAMAPTTHRAVCAM1
SCHEMBL20150252 0.65 TYK2 (0.42) TYK2THRBMAPTHTTTHRA
SCHEMBL11878819 0.65 TSHR (0.56) THRBMAPTVCAM1
SCHEMBL20410848 0.65 TYK2 (0.42) TYK2LMNA
SCHEMBL17785771 0.65 VCAM1 (0.44) THRBVCAM1

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 1/4885THRB 758/4885LMNA 2078/4885

“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.