SCHEMBL287912

SCHEMBL287912

CC(C(=O)O)c1ccc2c(c1)CCN2S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.52
MMP13 P45452 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.48
CHRM1 P11229 1/20 0.48
PTGS1 P23219 1/20 0.48

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
SCHEMBL5018919 0.84 SMN1; SMN2 (0.55) HPGDNPC1RAB9APOLBL3MBTL1
SCHEMBL287780 0.84 NPC1 (0.53) HPGDNPC1RAB9APOLBTSHR
SCHEMBL8803741 0.78 NOTUM (0.60) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL12682923 0.77 HPGD (0.69) HPGDNPC1RAB9APOLBL3MBTL1
SCHEMBL27675259 0.77 MAPT (0.62) TP53MEN1KMT2A
SCHEMBL10022381 0.76 TP53 (0.65) HPGDPOLBSMN1; SMN2TP53MEN1
SCHEMBL14057787 0.74 HPGD (0.69) HPGDNPC1RAB9APOLBL3MBTL1
SCHEMBL21490265 0.73 HPGD (0.67) HPGDNPC1RAB9APOLBL3MBTL1
SCHEMBL5024162 0.73 POLB (0.58) HPGDNPC1RAB9APOLBL3MBTL1
SCHEMBL9464873 0.72 POLB (0.57) HPGDNPC1RAB9APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
EP-2427436-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 EP disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 HPGD 1494/4885NPC1 1285/4885RAB9A 3388/4885

“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.