SCHEMBL46934

SCHEMBL46934

CC(=O)OCCC#Cc1cccc(C(=O)Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ACACB O00763 4/20 0.37
PTPN2 P17706 3/20 0.36
PTPN1 P18031 3/20 0.36
PTPN6 P29350 3/20 0.36
PTPN11 Q06124 3/20 0.36
HAO1 Q9UJM8 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CNR1 P21554 1/20 0.34
GSK3B P49841 1/20 0.33

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
SCHEMBL45751 0.87 KMT2A (0.42) PTPN2PTPN1PTPN6PTPN11HAO1
SCHEMBL7055462 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL6689389 0.78 ALDH1A1 (0.50) ALDH1A1TSHRPTPN2PTPN1PTPN6
SCHEMBL13440756 0.76 ALDH1A1 (0.40) ALDH1A1TSHRACACBLMNARAB9A
SCHEMBL6689174 0.74 FFAR1 (0.42) ALDH1A1TSHRPTPN2PTPN1PTPN6
SCHEMBL6696703 0.74 PTPN2 (0.49) ALDH1A1PTPN2PTPN1PTPN6PTPN11
SCHEMBL10412423 0.73 ALDH1A1 (0.46) ALDH1A1TSHRACACBPTPN11MEN1
SCHEMBL7054843 0.73 CHRNB2 (0.55) MEN1CYP1A2CYP3A4KMT2ALMNA
SCHEMBL27971560 0.73 HRH3 (0.45) ALDH1A1ACACBHAO1
SCHEMBL28979629 0.72 PTPN11 (0.49) ALDH1A1TSHRPTPN11MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO 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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 ALDH1A1 3332/4885TSHR 4326/4885ACACB 1413/4885

“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.