SCHEMBL13056584

SCHEMBL13056584

CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NCCOCCC(=O)ON3C(=O)CCC3=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CA9 Q16790 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.34
SLC9A3 P48764 6/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL20610304 0.87 F2 (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL18680099 0.86 F2 (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL20968161 0.83 F2 (0.42) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL13056582 0.82 F2 (0.50) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL13056581 0.79 F2 (0.53) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL21124656 0.77 ALDH1A1 (0.51) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL13056585 0.77 ALDH1A1 (0.51) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL13056583 0.76 F2 (0.42) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL21125205 0.76 F2 (0.52) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7701432 0.73 ALDH1A1 (0.54) F2PRSS1PRSS2PRSS3ALDH1A1

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-8846320-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2014-09-30 US disclosed
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-11-25 US disclosed
US-20100184087-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-07-22 US disclosed
US-7695929-B2 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. (US) 2010-04-13 US disclosed
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. 2008-10-30 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-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits HRH4, CRBN, NCDN F2 714/4885PRSS1 3861/4885PRSS2 3122/4885
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG F2 538/4885PRSS1 4107/4885PRSS2 3437/4885

“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.