SCHEMBL2009538

SCHEMBL2009538

COc1cc(CNC(C)=O)ccc1OC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
PTGS1 P23219 1/20 0.61
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.55
TSHR P16473 2/20 0.53
MAPK10 P53779 1/20 0.53
EPHX2 P34913 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL3818805 0.96 ALDH1A1 (0.60) ALDH1A1PTGS1KMT2AMEN1POLB
SCHEMBL3818808 0.96 ALDH1A1 (0.60) ALDH1A1PTGS1KMT2AMEN1POLB
SCHEMBL2601974 0.92 INSR (0.54) ALDH1A1PTGS1KMT2AMEN1POLB
SCHEMBL6171639 0.91 ALDH1A1 (0.78) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL5681740 0.85 ALDH1A1 (0.85) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL179008 0.83 INSR (0.54) ALDH1A1PTGS1KMT2AMEN1POLB
SCHEMBL21345576 0.82 PTGS1 (0.58) ALDH1A1PTGS1KMT2AMEN1POLB
SCHEMBL23417795 0.82 CYP4F2 (0.51) ALDH1A1KMT2A
SCHEMBL14564764 0.81 TRPV1 (0.69) ALDH1A1KMT2AMEN1TSHR
SCHEMBL5707095 0.81 MTNR1A (0.69) ALDH1A1TSHRTDP1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964642-B2 Antiinflammatory agents, analgesics; 2-halo-4-hydroxy-5-methoxyphenyl-functional urea or thiourea compounds such as 1-(p-trifluoromethylbenzyl)-3-(2-iodo-4-hydroxy-5-methoxybenzyl)thiourea PHARMESTE S.R.L. (IT) 2011-06-21 US disclosed
US-7964642-B2 Antiinflammatory agents, analgesics; 2-halo-4-hydroxy-5-methoxyphenyl-functional urea or thiourea compounds such as 1-(p-trifluoromethylbenzyl)-3-(2-iodo-4-hydroxy-5-methoxybenzyl)thiourea PHARMESTE S.R.L. (IT) 2011-06-21 US disclosed
US-7964642-B2 Antiinflammatory agents, analgesics; 2-halo-4-hydroxy-5-methoxyphenyl-functional urea or thiourea compounds such as 1-(p-trifluoromethylbenzyl)-3-(2-iodo-4-hydroxy-5-methoxybenzyl)thiourea PHARMESTE S.R.L. (IT) 2011-06-21 US disclosed
EP-2094653-B1 O-SUBSTITUTED-DIBENZYL UREA-DERIVATIVES AS TRPV1 RECEPTOR ANTAGONISTS PHARMESTE SRL (IT) 2010-09-01 EP disclosed
US-7750049-B2 O-substituted-dibenzyl urea-derivatives as TRPV1 receptor antagonists PHARMESTE S.R.L. (IT) 2010-07-06 US disclosed
US-7750049-B2 O-substituted-dibenzyl urea-derivatives as TRPV1 receptor antagonists PHARMESTE S.R.L. (IT) 2010-07-06 US disclosed
US-7750049-B2 O-substituted-dibenzyl urea-derivatives as TRPV1 receptor antagonists PHARMESTE S.R.L. (IT) 2010-07-06 US disclosed
US-20100105740-A1 O-SUBSTITUTED-DIBENZYL UREA-DERIVATIVES AS TRPV1 RECEPTOR ANTAGONISTS SERENTRIX, LLC 2010-04-29 US disclosed
US-20100105740-A1 O-SUBSTITUTED-DIBENZYL UREA-DERIVATIVES AS TRPV1 RECEPTOR ANTAGONISTS SERENTRIX, LLC 2010-04-29 US disclosed
US-20100105740-A1 O-SUBSTITUTED-DIBENZYL UREA-DERIVATIVES AS TRPV1 RECEPTOR ANTAGONISTS SERENTRIX, LLC 2010-04-29 US disclosed
EP-1939173-A1 O-substituted-dibenzyl urea- or thiourea- derivatives as trpv1 receptor antagonists Pharmeste S.r.l. (IT) 2008-07-02 EP disclosed
EP-1939173-A1 O-substituted-dibenzyl urea- or thiourea- derivatives as trpv1 receptor antagonists Pharmeste S.r.l. (IT) 2008-07-02 EP disclosed
US-20080085936-A1 Antiinflammatory agents, analgesics; 2-halo-4-hydroxy-5-methoxyphenyl-functional urea or thiourea compounds such as 1-(p-trifluoromethylbenzyl)-3-(2-iodo-4-hydroxy-5-methoxybenzyl)thiourea PHARMESTE S.R.L. (IT) 2008-04-10 US disclosed
US-20080085936-A1 Antiinflammatory agents, analgesics; 2-halo-4-hydroxy-5-methoxyphenyl-functional urea or thiourea compounds such as 1-(p-trifluoromethylbenzyl)-3-(2-iodo-4-hydroxy-5-methoxybenzyl)thiourea PHARMESTE S.R.L. (IT) 2008-04-10 US disclosed
US-20080085936-A1 Antiinflammatory agents, analgesics; 2-halo-4-hydroxy-5-methoxyphenyl-functional urea or thiourea compounds such as 1-(p-trifluoromethylbenzyl)-3-(2-iodo-4-hydroxy-5-methoxybenzyl)thiourea PHARMESTE S.R.L. (IT) 2008-04-10 US disclosed
EP-1805138-B1 SULFONAMIDO COMPOUNDS THAT ANTAGONISE THE VANILLOID TRPV1 RECEPTOR PHARMESTE SRL (IT) 2008-03-19 EP disclosed
EP-1805138-A1 SULFONAMIDO COMPOUNDS THAT ANTAGONISE THE VANILLOID TRPV1 RECEPTOR Pharmeste S.r.l. (IT) 2007-07-11 EP disclosed
EP-1758851-A1 VANILLOID TRPV1 RECEPTOR ANTAGONISTS Pharmeste S.r.l. (IT) 2007-03-07 EP disclosed
WO-2006045498-A1 SULFONAMIDO COMPOUNDS THAT ANTAGONISE THE VANILLOID TRPV1 RECEPTOR PHARMESTE S.R.L. (IT) 2006-05-04 WO disclosed
WO-2005123666-A1 VANILLOID TRPV1 RECEPTOR ANTAGONISTS PHARMESTE S.R.L. (IT) 2005-12-29 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-20080085936-A1 Antiinflammatory agents, analgesics; 2-halo-4-hydroxy-5-methoxyphenyl-functional urea or thiourea compounds such as 1-(p-trifluoromethylbenzyl)-3-(2-iodo-4-hydroxy-5-methoxybenzyl)thiourea SIGMAR1, PTGS1, TPMT ALDH1A1 339/4885PTGS1 2/4885KMT2A 3805/4885
US-20100105740-A1 O-SUBSTITUTED-DIBENZYL UREA-DERIVATIVES AS TRPV1 RECEPTOR ANTAGONISTS TRPV1, TRPV5, TRPA1 ALDH1A1 2576/4885PTGS1 276/4885KMT2A 2310/4885

“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.