SCHEMBL20150195

SCHEMBL20150195

CN=S(C)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
F2 P00734 3/20 0.53
PRSS1 P07477 3/20 0.53
PRSS2 P07478 3/20 0.53
PRSS3 P35030 3/20 0.53
THRB P10828 1/20 0.49
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
ACHE P22303 1/20 0.47
LMNA P02545 1/20 0.47
MET P08581 1/20 0.46

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
SCHEMBL2913624 0.81 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL20150197 0.78 KMT2A (0.66) KMT2AMEN1CA1CA2MMP1
SCHEMBL20150276 0.77 S100A4 (0.40) KMT2AMEN1CA1CA2MMP1
SCHEMBL30446303 0.77 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL2039879 0.77 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL11566827 0.77 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL237684 0.75 KMT2A (0.73) KMT2AMEN1CA1CA2MMP1
SCHEMBL12719289 0.74 KMT2A (0.66) KMT2AMEN1CA1CA2MMP1
SCHEMBL12751034 0.74 KMT2A (0.66) KMT2AMEN1CA1CA2MMP1
Formamide SCHEMBL28080784 0.74 KMT2A (0.59) KMT2AMEN1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
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 (2 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 KMT2A 206/4885MEN1 2491/4885CA1 4879/4885
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP KMT2A 2432/4885MEN1 2362/4885CA1 4421/4885

“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.