SCHEMBL5597867

SCHEMBL5597867

O=C(CCl)NCc1ccc(OC(F)(F)F)cc1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.46
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 3/20 0.42
NR1H4 Q96RI1 1/20 0.42
NLRP3 Q96P20 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40

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
SCHEMBL5598110 0.81 PPARG (0.50) HTTALDH1A1SMN1; SMN2CA1CA2
SCHEMBL31248368 0.79 EPHX2 (0.57) TRPV1HTTMAPTEPHX2NR1H4
SCHEMBL619834 0.73 EPHX2 (0.45) HTTEPHX2NR1H4ALDH1A1SMN1; SMN2
SCHEMBL23761199 0.73 GLS (0.48) TRPV1
SCHEMBL5597886 0.71 MAOB (0.44) TRPV1HTTMEN1MAPTRAB9A
SCHEMBL2325387 0.71 GPR84 (0.42) TRPV1HTTMEN1MAPTRAB9A
SCHEMBL3627023 0.70 ERCC1 (0.39) HTTKMT2AALDH1A1SMN1; SMN2CA1
Hydrochloric Acid SCHEMBL5598074 0.70 MAOB (0.43) TRPV1HTTMEN1MAPTRAB9A
SCHEMBL10041804 0.70 CA12 (0.55) MEN1RAB9AKMT2ACA12CA2
SCHEMBL9582473 0.69 POLB (0.48) TRPV1HTTMEN1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
EP-1465638-B1 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORP (US) 2007-05-16 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-7119120-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-10-10 US disclosed
EP-1465638-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-10-13 EP disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003057225-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-07-17 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 (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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 TRPV1 804/4885HTT 1916/4885MEN1 2905/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 TRPV1 1148/4885HTT 2299/4885MEN1 2248/4885

“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.