SCHEMBL13172174

SCHEMBL13172174

O=[N+]([O-])c1ccc(OCC(O)CO)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 1/20 0.49
▸ HSPB1 P04792 5/20 0.44
▸ GAA P10253 2/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ PMP22 Q01453 1/20 0.39

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
SCHEMBL11665258 0.84 KMT2A (0.48) HSPB1GAAALDH1A1CYP1A2LMNA
SCHEMBL9794575 0.84 GPR35 (0.45) GAAPTGDR2ALDH1A1CYP1A2LMNA
Hydrochloric Acid SCHEMBL10417398 0.83 GPR35 (0.44) GAAPTGDR2ALDH1A1CYP1A2LMNA
Hydrochloric Acid SCHEMBL11360528 0.82 TDP1 (0.52) GAAPTGDR2ALDH1A1CYP1A2LMNA
SCHEMBL20589129 0.80 GAA (0.41) GAAPTGDR2ALDH1A1CYP1A2LMNA
SCHEMBL11358987 0.77 SMN1; SMN2 (0.51) GAAALDH1A1CYP1A2LMNARAB9A
SCHEMBL11149431 0.77 KMT2A (0.51) HSPB1GAAALDH1A1HIF1ACYP1A2
SCHEMBL9159422 0.76 PTGS2 (0.46) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL9159418 0.76 PTGS2 (0.46) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL1496537 0.76 GAA (0.68) GAAALDH1A1LMNAMEN1KMT2A

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
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 — — US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 — — US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 — — US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 — — US disclosed
WO-2013068461-A1 SUBSTITUTED PYRAZOLYL-BASED CARBOXAMIDE AND UREA DERIVATIVES BEARING A PHENYL MOIETY SUBSTITUTED WITH AN O-CONTAINING GROUP AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-05-16 — — WO disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 — — US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 — — 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-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 S1PR4 616/4885HSPB1 3525/4885GAA 2263/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 S1PR4 616/4885HSPB1 3525/4885GAA 2263/4885

“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.

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