SCHEMBL4538374

SCHEMBL4538374

CCCNS(=O)(=O)c1ccccc1-c1c(-c2ccccc2)noc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.52
MT-CO2 P00403 3/20 0.52
NR4A2 P43354 1/20 0.51
PTGS1 P23219 3/20 0.50
ALDH1A1 P00352 6/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
CA3 P07451 1/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2B P18089 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 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
SCHEMBL4538378 0.83 PTGS2 (0.72) PTGS2MT-CO2NR4A2PTGS1ALDH1A1
SCHEMBL4537894 0.81 PTGS2 (0.72) PTGS2MT-CO2NR4A2PTGS1ALDH1A1
SCHEMBL29577826 0.81 PTGS2 (0.72) PTGS2MT-CO2NR4A2PTGS1ALDH1A1
SCHEMBL29578130 0.78 PTGS2 (0.59) PTGS2MT-CO2NR4A2PTGS1ALDH1A1
SCHEMBL8478481 0.78 PTGS2 (0.59) PTGS2MT-CO2NR4A2PTGS1ALDH1A1
SCHEMBL6435526 0.78 PTGS2 (0.67) PTGS2MT-CO2NR4A2PTGS1ALDH1A1
SCHEMBL28646419 0.74 PTGS2 (0.71) PTGS2MT-CO2NR4A2PTGS1ALDH1A1
SCHEMBL5586953 0.73 PTGS2 (0.75) PTGS2MT-CO2NR4A2PTGS1ALDH1A1
SCHEMBL14561968 0.73 PTGS2 (0.74) PTGS2MT-CO2NR4A2PTGS1ALDH1A1
SCHEMBL4551420 0.71 PTGS2 (0.50) PTGS2MT-CO2NR4A2PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 PTGS2 29/4885MT-CO2 755/4885NR4A2 3088/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 PTGS2 29/4885MT-CO2 755/4885NR4A2 3088/4885

“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.