SCHEMBL20150212

SCHEMBL20150212

CS(=O)(=O)c1cc(-c2ccoc2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.45
THRB P10828 4/20 0.42
SCD O00767 1/20 0.41
VCAM1 P19320 2/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
FLT3 P36888 1/20 0.35
MAP4K4 O95819 1/20 0.35
TGFBR1 P36897 1/20 0.35
HTT P42858 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
LMNA P02545 1/20 0.33
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
SCHEMBL2650245 0.76 ERN1 (0.52) ERN1VCAM1MEN1KMT2APOLB
SCHEMBL27989353 0.73 ERN1 (0.52) ERN1MEN1KMT2APOLBMAPT
SCHEMBL19475595 0.72 PDGFRB (0.52) ERN1MAPTTDP1HTTLMNA
SCHEMBL15703077 0.72 TSHR (0.60) THRBVCAM1MEN1KMT2ACYP3A4
SCHEMBL30908542 0.72 TSHR (0.60) THRBVCAM1MEN1KMT2ACYP3A4
SCHEMBL13593045 0.71 SCD (0.57) SCDFLT3MAP4K4TGFBR1
SCHEMBL17785771 0.70 VCAM1 (0.44) THRBVCAM1MEN1KMT2APOLB
SCHEMBL11878819 0.70 TSHR (0.56) THRBVCAM1MEN1KMT2APOLB
SCHEMBL20150270 0.70 ATM (0.61) THRBVCAM1MEN1KMT2ATDP1
SCHEMBL11879430 0.70 VCAM1 (0.48) ERN1THRBVCAM1MEN1KMT2A

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 ERN1 845/4885THRB 758/4885SCD 2833/4885

“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.