SCHEMBL20150206

SCHEMBL20150206

CN(c1cc(C2=CCCCO2)ccc1[N+](=O)[O-])S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.39
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL20150211 0.81 THRB (0.39) MAPTCYP2C9ALDH1A1HTT
SCHEMBL20225778 0.77 CYP19A1 (0.37) CYP19A1MAPTCYP2C9KDM4EALDH1A1
SCHEMBL20150205 0.75 TDP1 (0.45) MAPTCYP2C9ALDH1A1HTT
SCHEMBL20225779 0.75 HTR1D (0.38) CYP19A1MAPTCYP2C9ALDH1A1
SCHEMBL20225763 0.70 TSHR (0.53) CYP19A1PKMMAPTKDM4EALDH1A1
SCHEMBL20150151 0.70 ERN1 (0.45) CYP19A1MAPT
SCHEMBL29739895 0.69 CYP19A1 (0.49) CYP19A1MAPTKDM4EALDH1A1HTT
SCHEMBL29686179 0.69 TSHR (0.50) CYP19A1PKMMAPTKDM4EALDH1A1
SCHEMBL20150149 0.69 CYP19A1 (0.49) CYP19A1MAPTKDM4EALDH1A1HTT
SCHEMBL3617121 0.69 CYP19A1 (0.50) CYP19A1KDM4EALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4206196-A1 PYRIMIDINE SUBSTITUTED DERIVATIVES AS TYK2 INHIBITORS Almirall S.A. (ES) 2023-07-05 EP disclosed
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 CYP19A1 2724/4885PKM 1134/4885MAPT 1236/4885

“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.