SCHEMBL16355199

SCHEMBL16355199

Cc1cc(CNC(C)(C)C)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
WDR5 P61964 2/20 0.37
MCL1 Q07820 1/20 0.37
HPGD P15428 1/20 0.36
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
S1PR1 P21453 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4636599 0.85 TSHR (0.51) KMT2AMEN1TSHRSMN1; SMN2HPGD
SCHEMBL14867645 0.82 RPS6KB1 (0.39) KMT2AMEN1HTTCA2ALDH1A1
SCHEMBL14194862 0.79 HTR2A (0.49) PTPN7DUSP3TSHRSMN1; SMN2HPGD
SCHEMBL16355198 0.78 MMP13 (0.50) KMT2AMEN1PTPN7DUSP3SLC6A4
SCHEMBL15432485 0.77 IDO1 (0.57)
SCHEMBL11445786 0.77 PTPN7 (0.43) KMT2APTPN7DUSP3TSHRSMN1; SMN2
SCHEMBL14350117 0.76 CNR2 (0.50) KMT2AMEN1HTTTSHRSLC6A4
SCHEMBL16355200 0.75 KDM1A (0.48) HTTSMN1; SMN2HPGDALDH1A1GAA
SCHEMBL15033692 0.75 PTGES (0.52) HTTPTPN7DUSP3TSHRSMN1; SMN2
SCHEMBL5839383 0.75 LTA4H (0.46) HTTCA2HPGDALDH1A1

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 KMT2A 4695/4885MEN1 2404/4885HTT 4453/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 KMT2A 4695/4885MEN1 2404/4885HTT 4453/4885

“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.