SCHEMBL618008

SCHEMBL618008

Cc1ccc(S(=O)(=O)OCC2(F)CCN(C(=O)O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.42
KMT2A Q03164 1/20 0.41
STAT3 P40763 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
CYP2D6 P10635 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
TSHR P16473 1/20 0.37
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL26928444 0.87 STAT3 (0.42) APPKMT2ASTAT3ALDH1A1HPGD
SCHEMBL619491 0.85 KMT2A (0.49) KMT2A
SCHEMBL21768407 0.83 KMT2A (0.43) KMT2ASTAT3ALDH1A1CYP2C19GAA
SCHEMBL16415507 0.82 STAT3 (0.42) APPKMT2ASTAT3ALDH1A1HPGD
SCHEMBL22616118 0.82 STAT3 (0.37) KMT2ASTAT3ALDH1A1HPGDNPSR1
SCHEMBL22236442 0.82 CYP2C19 (0.44) KMT2AALDH1A1CYP2C19PKMCYP2D6
SCHEMBL27228991 0.81 MEN1 (0.45) KMT2A
SCHEMBL19205339 0.81 APP (0.41) APPKMT2ASTAT3ALDH1A1HPGD
SCHEMBL26988028 0.81 APP (0.41) APPKMT2ASTAT3ALDH1A1HPGD
SCHEMBL34473601 0.81 KMT2A (0.45) KMT2ASTAT3ALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367658-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-05 US disclosed
US-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-02-16 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-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, PLK1 APP 3598/4885KMT2A 497/4885STAT3 2171/4885

“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.