Sugi Predict

Sugi Predict / Compounds / SCHEMBL45751

SCHEMBL45751

SCHEMBL45751

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ MRGPRX4 Q96LA9 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PTPN2 P17706 2/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ PTPN6 P29350 2/20 0.39
▸ PTPN11 Q06124 2/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL46934 0.87 ALDH1A1 (0.38) KMT2ALMNAHAO1RAB9APTPN2
SCHEMBL7055462 0.85 ALDH1A1 (0.46) HTTGAA
SCHEMBL15432604 0.81 KMT2A (0.40) KMT2AHTTHAO1MRGPRX4SMN1; SMN2
SCHEMBL46622 0.80 ASIC3 (0.48) KMT2AHAO1CA12CA1CA2
SCHEMBL6689389 0.80 ALDH1A1 (0.50) KMT2AHTTLMNASMN1; SMN2PTPN2
SCHEMBL18059157 0.78 CHRNB2 (0.49) KMT2AHAO1MRGPRX4SMN1; SMN2RAB9A
SCHEMBL46986 0.78 CHRNB2 (0.49) KMT2AHTTSMN1; SMN2RAB9ANPC1
SCHEMBL6689174 0.78 FFAR1 (0.42) PTPN2PTPN1PTPN6PTPN11
SCHEMBL16799698 0.76 NPC1 (0.40) KMT2ASMN1; SMN2RAB9APTPN2PTPN1
SCHEMBL4973133 0.76 CA12 (0.56) KMT2ATP53PTPN11CA12CA1

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 7 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
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 — — EP 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 KMT2A 4830/4885HTT 3826/4885LMNA 3817/4885

“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.