SCHEMBL40857

SCHEMBL40857

COC(=O)c1cccc(CC(N)=S)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.67
CYP4F2 P78329 2/20 0.60
CYP4A11 Q02928 2/20 0.60
ALDH1A1 P00352 3/20 0.57
SLC7A5 Q01650 1/20 0.57
MRGPRX4 Q96LA9 2/20 0.50
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 2/20 0.49
HIF1A Q16665 1/20 0.48
FOLH1 Q04609 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
TRPA1 O75762 1/20 0.46

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
SCHEMBL4237927 0.87 LOXL2 (0.71) LOXL2CYP4F2CYP4A11ALDH1A1SLC7A5
SCHEMBL1198560 0.85 CYP4F2 (0.59) LOXL2CYP4F2CYP4A11ALDH1A1RAB9A
SCHEMBL27972778 0.84 LOXL2 (0.46) LOXL2CYP4F2CYP4A11ALDH1A1SLC7A5
SCHEMBL2711148 0.84 LOXL2 (0.67) LOXL2CYP4F2CYP4A11ALDH1A1SLC7A5
Hydrochloric Acid SCHEMBL2711145 0.83 LOXL2 (0.65) LOXL2CYP4F2CYP4A11ALDH1A1SLC7A5
SCHEMBL2964543 0.82 LOXL2 (0.68) LOXL2CYP4F2CYP4A11ALDH1A1SLC7A5
SCHEMBL1492405 0.82 LOXL2 (0.68) LOXL2CYP4F2CYP4A11ALDH1A1SLC7A5
SCHEMBL3625604 0.82 LOXL2 (0.68) LOXL2CYP4F2CYP4A11ALDH1A1SLC7A5
SCHEMBL1492354 0.81 LOXL2 (0.66) LOXL2CYP4F2CYP4A11ALDH1A1SLC7A5
SCHEMBL29451790 0.80 LOXL2 (1.00) LOXL2CYP4F2CYP4A11ALDH1A1SLC7A5

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 8 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
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 LOXL2 4391/4885CYP4F2 352/4885CYP4A11 1282/4885

“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.