SCHEMBL20150214

SCHEMBL20150214

CS(=O)(=O)c1cc(C2CCOC2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 9/20 0.43
POLB P06746 1/20 0.39
TXNRD1 Q16881 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
THRB P10828 2/20 0.36
VCAM1 P19320 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.36
ACHE P22303 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
SCHEMBL20092461 0.80 TYK2 (0.43) TYK2PRMT5WDR77
SCHEMBL20092393 0.72 TYK2 (0.44) TYK2PRMT5WDR77
SCHEMBL20092390 0.72 TYK2 (0.44) TYK2PRMT5WDR77
SCHEMBL20093169 0.72 TYK2 (0.44) TYK2PRMT5WDR77
SCHEMBL6460362 0.71 TYK2 (0.41) TYK2POLBPRMT5WDR77
SCHEMBL20092137 0.71 TYK2 (0.41) TYK2
SCHEMBL14183096 0.69 GAA (0.50) POLBKMT2AMAPTCYP2C9
SCHEMBL15703077 0.69 TSHR (0.60) MEN1KMT2ATHRBVCAM1ACHE
SCHEMBL30908542 0.69 TSHR (0.60) MEN1KMT2ATHRBVCAM1ACHE
SCHEMBL3315679 0.69 ALDH1A1 (0.48) TXNRD1MEN1KMT2AMAPTHTT

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 1657/4885TXNRD1 1946/4885

“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.