SCHEMBL20150268

SCHEMBL20150268

CC1(C)CC=C(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)OC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
THRB P10828 9/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
VCAM1 P19320 1/20 0.33
POLB P06746 2/20 0.33
THRA P10827 6/20 0.32
ERN1 O75460 1/20 0.32
CCR2 P41597 1/20 0.31
PTGS2 P35354 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ATM Q13315 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 0.78 THRB (0.39) LMNAMAPTHTTTHRBMEN1
SCHEMBL20150201 0.70 TYK2 (0.44) LMNAMAPTHTTTHRBVCAM1
SCHEMBL20150215 0.68 THRB (0.39) LMNAMAPTHTTTHRBMEN1
SCHEMBL20150212 0.68 ERN1 (0.45) LMNAMAPTHTTTHRBMEN1
SCHEMBL20150270 0.67 ATM (0.61) LMNATHRBMEN1KMT2AVCAM1
SCHEMBL30908542 0.65 TSHR (0.60) THRBMEN1KMT2AVCAM1CCR2
SCHEMBL15703077 0.65 TSHR (0.60) THRBMEN1KMT2AVCAM1CCR2
SCHEMBL20136292 0.64 CA1 (0.40) THRBMEN1KMT2AVCAM1CCR2
SCHEMBL17785771 0.64 VCAM1 (0.44) THRBMEN1KMT2AVCAM1POLB
SCHEMBL11879430 0.64 VCAM1 (0.48) LMNAMAPTTHRBMEN1KMT2A

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 LMNA 2078/4885MAPT 1236/4885HTT 1087/4885

“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.