SCHEMBL2447757

SCHEMBL2447757

CN([C@@H]1c2ccccc2C[C@H]1O)S(C)(=O)=O.CS(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1N

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
P2RX7 Q99572 1/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP1 P03956 2/20 0.33
MMP8 P22894 2/20 0.33
JAK1 P23458 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
ANPEP P15144 1/20 0.32
VIPR2 P41587 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
SCHEMBL2444502 0.84 KCNE1 (0.37)
SCHEMBL5837195 0.84 CA1 (0.41) ALDH1A1ANPEP
SCHEMBL30832970 0.84 KCNE1 (0.37)
SCHEMBL1943462 0.84 CA1 (0.41) ALDH1A1ANPEP
SCHEMBL5731016 0.84 CA1 (0.41) ALDH1A1ANPEP
SCHEMBL1941901 0.80 KDM1A (0.37) ANPEP
SCHEMBL16886876 0.79 MEN1 (0.44) MEN1ALDH1A1KMT2AOPRM1OPRK1
SCHEMBL16886877 0.79 MEN1 (0.44) MEN1ALDH1A1KMT2AOPRM1OPRK1
SCHEMBL18199740 0.79 MEN1 (0.44) MEN1ALDH1A1KMT2AOPRM1OPRK1
SCHEMBL2447761 0.75 KCNE1 (0.35) MMP2MMP9MMP1MMP8ANPEP

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
EP-2483249-B1 PYRIMIDINE DERIVATIVES AS PROTEIN TYROSINE KINASE 2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP disclosed
US-8466155-B2 Pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20110237598-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 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-20110237598-A1 NEW COMPOUNDS CCNA1, MKI67, CCNE1 MEN1 305/4885ALDH1A1 134/4885KMT2A 3060/4885

“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.