SCHEMBL851768

SCHEMBL851768

CCOC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(C(=N)OCC)cc3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 5/20 0.66
ST14 Q9Y5Y6 3/20 0.51
F2 P00734 2/20 0.51
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
F10 P00742 1/20 0.48
CACNA1H O95180 1/20 0.46
CACNA1B Q00975 1/20 0.46
METAP2 P50579 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL851703 0.86 MRGPRX1 (0.52) MRGPRX1ST14F2PRSS1PRSS2
SCHEMBL851435 0.84 MRGPRX1 (0.82) MRGPRX1ST14F2PRSS1PRSS2
SCHEMBL851855 0.82 ST14 (0.73) MRGPRX1ST14F2PRSS1PRSS2
SCHEMBL851411 0.79 MRGPRX1 (0.51) MRGPRX1F2PRSS1PRSS2PRSS3
SCHEMBL851450 0.75 SLC22A12 (0.54) MRGPRX1CACNA1HCACNA1BKMT2AFFAR1
SCHEMBL3274521 0.73 CACNA1H (0.53) MRGPRX1CACNA1HCACNA1BTDP1HTT
SCHEMBL5955235 0.73 CYP2C9 (0.59) MRGPRX1CYP1A2CYP2C9HTTLMNA
SCHEMBL3275031 0.73 MRGPRX1 (0.49) MRGPRX1LMNAMAPTKMT2A
SCHEMBL5955381 0.70 STAT3 (0.60) FFAR1FFAR4
SCHEMBL3050790 0.70 PTPN1 (0.61) MRGPRX1CACNA1HCACNA1BTDP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MRGPRX1 202/4885ST14 216/4885F2 112/4885

“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.