SCHEMBL20150171

SCHEMBL20150171

COC(=O)c1ccc([N+](=O)[O-])c(N(C)S(C)(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.60
CYP2C9 P11712 2/20 0.49
ALDH1A1 P00352 3/20 0.48
PKM P14618 2/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43

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
SCHEMBL20150170 0.84 ALDH1A1 (0.44) VCAM1ALDH1A1PKMKMT2AMEN1
SCHEMBL26121327 0.81 CYP19A1 (0.40) VCAM1ALDH1A1PKMKMT2AMEN1
SCHEMBL23196219 0.80 VCAM1 (0.51) VCAM1ALDH1A1PKMKMT2APOLB
SCHEMBL23933066 0.78 POLB (0.55) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL5734347 0.77 VCAM1 (0.68) VCAM1ALDH1A1PKMKMT2APOLB
SCHEMBL1110902 0.76 HCAR3 (0.70) VCAM1ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL20225763 0.76 TSHR (0.53) ALDH1A1PKMPOLBKDM4ETSHR
SCHEMBL20150169 0.76 THRB (0.40) ALDH1A1PKMKMT2APOLBMEN1
SCHEMBL7031271 0.76 VCAM1 (0.63) VCAM1ALDH1A1PKMPOLBLMNA
SCHEMBL29740109 0.75 CYP19A1 (0.48) VCAM1ALDH1A1KDM4E

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 VCAM1 3287/4885CYP2C9 4115/4885ALDH1A1 4827/4885

“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.