SCHEMBL695715

SCHEMBL695715

BrCc1ccccc1COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50
KDM4E B2RXH2 1/20 0.50
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TMPRSS6 Q8IU80 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
KCNH2 Q12809 2/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A3 Q01959 3/20 0.45
SLC6A4 P31645 2/20 0.45
HTR1A P08908 1/20 0.45
KCNA3 P22001 1/20 0.44
APP P05067 1/20 0.44
NR4A2 P43354 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL931875 0.89 PTPRC (0.59) SMN1; SMN2PTPRCPTPN1KDM4EF2
SCHEMBL9464001 0.86 MAOB (0.49) PTPRCPTPN1F2PRSS1PRSS2
SCHEMBL891492 0.80 LTA4H (0.59) SMN1; SMN2PTPRCPTPN1KDM4EF2
SCHEMBL30903806 0.80 ALDH1A1 (0.54) SMN1; SMN2PTPRCPTPN1KDM4EF2
SCHEMBL1259945 0.78 PARP10 (0.62) SMN1; SMN2PTPRCPTPN1KDM4EF2
SCHEMBL1539440 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PTPRCPTPN1KDM4EF2
SCHEMBL5947507 0.78 IDO1 (0.57) SMN1; SMN2PTPRCPTPN1KDM4EF2
SCHEMBL18460957 0.78 KDM4E (0.50) SMN1; SMN2PTPRCPTPN1KDM4EF2
SCHEMBL3266332 0.78 PTPRC (0.55) SMN1; SMN2PTPRCPTPN1KDM4EF2
SCHEMBL12920460 0.78 PTPRC (0.55) SMN1; SMN2PTPRCPTPN1KDM4EF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
EP-2630127-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS Glaxo Group Limited (GB) 2013-08-28 EP disclosed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US disclosed
WO-2012052459-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2012-04-26 WO disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP 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-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS NLRP3, IL33, IL5 SMN1; SMN2 4836/4885PTPRC 1937/4885PTPN1 2462/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 SMN1; SMN2 3063/4885PTPRC 1143/4885PTPN1 3014/4885

“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.