SCHEMBL851730

SCHEMBL851730

N#Cc1ccc(Oc2cc(OCc3cccc(C#N)c3)cc(C(=O)O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.60
FFAR4 Q5NUL3 1/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALKBH1 Q13686 1/20 0.55
MRGPRX4 Q96LA9 8/20 0.54
MAOB P27338 2/20 0.52
NR4A2 P43354 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50

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
SCHEMBL851377 0.91 MEN1 (0.68) FFAR1FFAR4MEN1KMT2AALKBH1
SCHEMBL851678 0.89 MEN1 (0.60) FFAR1FFAR4MEN1KMT2AALKBH1
SCHEMBL851521 0.86 MAOB (0.58) FFAR1MEN1KMT2AMRGPRX4MAOB
SCHEMBL851554 0.85 FFAR1 (0.53) FFAR1FFAR4ALKBH1MRGPRX4MAOB
SCHEMBL4684138 0.83 MRGPRX4 (0.70) MRGPRX4NR4A2
SCHEMBL25203039 0.82 NR4A2 (0.71) FFAR1FFAR4ALKBH1MRGPRX4NR4A2
SCHEMBL30391969 0.82 NR4A2 (0.71) FFAR1FFAR4ALKBH1MRGPRX4NR4A2
SCHEMBL851769 0.82 MEN1 (0.51) FFAR1FFAR4MEN1KMT2AMAOB
SCHEMBL852236 0.82 MEN1 (0.69) MEN1KMT2AALKBH1MRGPRX4MAOB
SCHEMBL851979 0.82 PARP15 (0.62) MEN1KMT2ACYP19A1

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 FFAR1 3640/4885FFAR4 4056/4885MEN1 258/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 FFAR1 3640/4885FFAR4 4056/4885MEN1 258/4885

“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.