SCHEMBL20150215

SCHEMBL20150215

CS(=O)(=O)c1cc(C2=CCCOC2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.39
MAPT P10636 6/20 0.37
CYP2C9 P11712 1/20 0.37
VCAM1 P19320 2/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
ERN1 O75460 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.32
THRA P10827 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20225778 0.81 CYP19A1 (0.37) MAPTCYP2C9LMNAHPGDSMN1; SMN2
SCHEMBL20150211 0.75 THRB (0.39) THRBMAPTCYP2C9VCAM1LMNA
SCHEMBL20150212 0.69 ERN1 (0.45) THRBMAPTVCAM1LMNAPOLB
SCHEMBL20150268 0.68 LMNA (0.40) THRBMAPTVCAM1LMNAPOLB
SCHEMBL30908542 0.67 TSHR (0.60) THRBVCAM1SMN1; SMN2MEN1KMT2A
SCHEMBL15703077 0.67 TSHR (0.60) THRBVCAM1SMN1; SMN2MEN1KMT2A
SCHEMBL20150214 0.67 TYK2 (0.43) THRBMAPTCYP2C9VCAM1POLB
SCHEMBL17785771 0.66 VCAM1 (0.44) THRBVCAM1POLBMEN1KMT2A
SCHEMBL11879430 0.66 VCAM1 (0.48) THRBMAPTVCAM1LMNAHPGD
SCHEMBL11878819 0.66 TSHR (0.56) THRBMAPTVCAM1POLBALDH1A1

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 THRB 758/4885MAPT 1236/4885CYP2C9 4115/4885

“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.