SCHEMBL20150211

SCHEMBL20150211

CS(=O)(=O)c1cc(C2=CCCCO2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.39
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
VCAM1 P19320 1/20 0.34
ACHE P22303 1/20 0.34
THRA P10827 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ERN1 O75460 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP2C9 P11712 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
SCHEMBL20150205 0.82 TDP1 (0.45) POLBLMNAMAPTHTTVCAM1
SCHEMBL20150206 0.81 CYP19A1 (0.39) MAPTHTTALDH1A1CYP2C9
SCHEMBL20150268 0.78 LMNA (0.40) THRBPOLBLMNAMAPTHTT
SCHEMBL20150215 0.75 THRB (0.39) THRBPOLBLMNAMAPTHTT
SCHEMBL20150212 0.69 ERN1 (0.45) THRBPOLBLMNAMAPTHTT
SCHEMBL30908542 0.67 TSHR (0.60) THRBVCAM1ACHEMEN1KMT2A
SCHEMBL15703077 0.67 TSHR (0.60) THRBVCAM1ACHEMEN1KMT2A
SCHEMBL11878819 0.66 TSHR (0.56) THRBPOLBMAPTVCAM1MEN1
SCHEMBL17785771 0.66 VCAM1 (0.44) THRBPOLBVCAM1MEN1KMT2A
SCHEMBL11879430 0.66 VCAM1 (0.48) THRBLMNAMAPTVCAM1MEN1

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 758/4885POLB 1657/4885LMNA 2078/4885

“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.