SCHEMBL16355198

SCHEMBL16355198

Cc1cc(CNC(C)(C)C)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.50
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
MMP10 P09238 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DAO P14920 1/20 0.39
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13117452 0.85 RIPK1 (0.41) MMP13PTPN7DUSP3SLC6A2SLC6A3
SCHEMBL14867645 0.82 RPS6KB1 (0.39) MEN1KMT2A
SCHEMBL14350117 0.80 CNR2 (0.50) HDAC3HDAC1HDAC2SLC6A2SLC6A4
SCHEMBL15432480 0.79 PTPN7 (0.53) PTPN7DUSP3
SCHEMBL6412456 0.79 MMP13 (0.50) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL27818334 0.78 MMP13 (0.48) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL16355199 0.78 KMT2A (0.48) PTPN7DUSP3SLC6A2SLC6A4SLC6A3
SCHEMBL16355196 0.77 ALDH1A1 (0.45)
SCHEMBL14470228 0.77 MMP13 (0.49) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL13965844 0.76 HDAC3 (0.52) MMP13HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 MMP13 1806/4885HDAC3 2951/4885HDAC1 2715/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 MMP13 1806/4885HDAC3 2951/4885HDAC1 2715/4885

“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.