SCHEMBL15224136

SCHEMBL15224136

CC[CH]NS(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.67
F2 P00734 2/20 0.58
PRSS1 P07477 2/20 0.58
PRSS2 P07478 2/20 0.58
PRSS3 P35030 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
HIF1A Q16665 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 2/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
NSD2 O96028 1/20 0.55
CA2 P00918 1/20 0.55
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL8181341 0.87 EDNRA (0.61) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL5048491 0.84 EDNRA (0.63) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL15515526 0.84 EDNRA (0.63) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL11128861 0.81 EDNRA (0.63) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL8906934 0.79 CA2 (0.65) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL10002025 0.78 HDAC4 (0.62) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL13274117 0.78 CYP1A2 (0.71) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL7219206 0.78 F2 (0.62) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL2373089 0.77 CA2 (0.63) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL235824 0.77 CA2 (0.68) EDNRAF2PRSS1PRSS2PRSS3

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-8524781-B2 Organosulfur compounds, a method of making organosulfur compounds and their use for inhibiting the growth of tumour cells UNIVERSITY OF CAPE TOWN (ZA) 2013-09-03 US claimed
US-10961401-B2 UV cured benzophenone terminated quaternary ammonium antimicrobials for surfaces NANO SAFE COATINGS INCORPORATED (US) 2021-03-30 US disclosed
EP-2931702-B1 UV CURED BENZOPHENONE TERMINATED QUATERNARY AMMONIUM ANTIMICROBIALS FOR SURFACES NANO SAFE COATINGS INCORPORATED (US) 2019-02-20 EP disclosed
US-20180127598-A1 UV CURED BENZOPHENONE TERMINATED QUATERNARY AMMONIUM ANTIMICROBIALS FOR SURFACES NANO SAFE COATINGS, LLC 2018-05-10 US disclosed
US-20150299475-A1 UV CURED BENZOPHENONE TERMINATED QUARTERNARY AMMONIUM ANTIMICROBIALS FOR SURFACES BIOSHIELD TECHNOLOGIES CANADA LIMITED (CA) 2015-10-22 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 (3 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-10961401-B2 UV cured benzophenone terminated quaternary ammonium antimicrobials for surfaces AAAS, UBE2M, UBE2I EDNRA 3002/4885F2 3980/4885PRSS1 4371/4885
US-20150299475-A1 UV CURED BENZOPHENONE TERMINATED QUARTERNARY AMMONIUM ANTIMICROBIALS FOR SURFACES UBE2I, PHB1, AAAS EDNRA 3304/4885F2 3354/4885PRSS1 4129/4885
US-20180127598-A1 UV CURED BENZOPHENONE TERMINATED QUATERNARY AMMONIUM ANTIMICROBIALS FOR SURFACES AAAS, UBE2M, UBE2I EDNRA 3002/4885F2 3980/4885PRSS1 4371/4885

“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.