SCHEMBL18711920

SCHEMBL18711920

CC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP3 P08254 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
MMP14 P50281 1/20 0.55
EPHX2 P34913 4/20 0.54
EPHX1 P07099 3/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL18702188 0.88 EPHX2 (0.53) MEN1KMT2AEPHX2EPHX1HDAC3
SCHEMBL29076533 0.87 EPHX2 (0.52) MEN1KMT2AEPHX2EPHX1HDAC3
SCHEMBL1828117 0.85 TGM2 (0.61) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL26530265 0.83 PKM (0.71) EPHX2PKMLIPE
SCHEMBL18711921 0.83 PKM (0.76) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL29076463 0.83 PKM (0.57) EPHX2SCN9APKMLIPE
SCHEMBL29076520 0.83 PKM (0.58) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL29076497 0.83 PKM (0.57) EPHX2SCN9APKMLIPE
SCHEMBL29076514 0.82 EPHX1 (0.57) MEN1KMT2AEPHX2EPHX1HDAC3
SCHEMBL18711448 0.82 ALDH1A1 (0.63) MEN1KMT2AEPHX2PKM

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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR MEN1 4876/4885KMT2A 2884/4885MMP1 775/4885

“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.