SCHEMBL20150277

SCHEMBL20150277

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP19A1 P11511 2/20 0.38
VCAM1 P19320 3/20 0.38
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL30184633 0.86 VCAM1 (0.44) S100A4TRPV1KMT2AMEN1CYP3A4
SCHEMBL17785771 0.86 VCAM1 (0.44) S100A4TRPV1KMT2AMEN1CYP3A4
SCHEMBL20150276 0.81 S100A4 (0.40) S100A4TRPV1KMT2AMEN1CYP3A4
SCHEMBL1491788 0.79 TXNRD1 (0.46) S100A4TRPV1KMT2AMEN1CYP3A4
SCHEMBL2646713 0.76 VCAM1 (0.55) S100A4TRPV1VCAM1THRBPOLB
SCHEMBL20150197 0.75 KMT2A (0.66) KMT2AMEN1THRBTDP1CA1
SCHEMBL1561802 0.72 TSHR (0.56) S100A4TRPV1CYP3A4TSHRATM
SCHEMBL20150149 0.71 CYP19A1 (0.49) S100A4TRPV1CYP19A1
SCHEMBL29739895 0.71 CYP19A1 (0.49) S100A4TRPV1CYP19A1
SCHEMBL1459853 0.71 MAPT (0.56) S100A4TRPV1KMT2AMEN1CYP3A4

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 S100A4 4524/4885TRPV1 4626/4885KMT2A 206/4885

“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.