SCHEMBL851450

SCHEMBL851450

N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.54
CACNA1H O95180 3/20 0.54
CACNA1B Q00975 3/20 0.54
MRGPRX1 Q96LB2 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PLA2G7 Q13093 2/20 0.49
TBXA2R P21731 2/20 0.48
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
STAT3 P40763 1/20 0.46
ACLY P53396 1/20 0.46
PGR P06401 1/20 0.46

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
SCHEMBL851124 0.84 PGR (0.54) SLC22A12CACNA1HCACNA1BMEN1KMT2A
SCHEMBL3792939 0.83 F2 (0.62) SLC22A12CACNA1HCACNA1BMEN1KMT2A
SCHEMBL851435 0.79 MRGPRX1 (0.82) CACNA1HCACNA1BMRGPRX1FFAR1FFAR4
SCHEMBL851158 0.79 ST14 (0.67) SLC22A12CACNA1HCACNA1BMEN1KMT2A
SCHEMBL7595509 0.78 SLC22A12 (0.56) SLC22A12MEN1KMT2AACLY
SCHEMBL16592647 0.77 ATIC (0.56) SLC22A12MEN1KMT2AACLY
SCHEMBL14087603 0.76 CYP2C9 (0.65) KDM4EALDH1A1
SCHEMBL850766 0.75 PGR (0.54) SLC22A12CACNA1HCACNA1BMRGPRX1ACLY
SCHEMBL851768 0.75 MRGPRX1 (0.66) CACNA1HCACNA1BMRGPRX1KMT2AFFAR1
SCHEMBL7127256 0.74 CCR2 (0.61) CACNA1HCACNA1BSTAT3ACLY

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-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 SLC22A12 2661/4885CACNA1H 3794/4885CACNA1B 3892/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 SLC22A12 2661/4885CACNA1H 3794/4885CACNA1B 3892/4885

“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.