SCHEMBL851240

SCHEMBL851240

N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3Cl)cc(C(=O)O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
MRGPRX4 Q96LA9 5/20 0.52
PARP15 Q460N3 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
AR P10275 3/20 0.46
MERTK Q12866 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
IL18 Q14116 1/20 0.43
SCN9A Q15858 1/20 0.43
TBXA2R P21731 2/20 0.42
KMO O15229 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
SCHEMBL851979 0.86 PARP15 (0.62) PARP15PARP10PARP2MEN1KMT2A
SCHEMBL851528 0.83 FFAR1 (0.52) FFAR1MRGPRX4PARP15PARP10PARP2
SCHEMBL20626655 0.80 FFAR1 (0.61) FFAR1MRGPRX4ARMERTK
SCHEMBL10852120 0.79 AR (0.54) FFAR1MRGPRX4ARMERTKTBXA2R
SCHEMBL11195305 0.79 AR (0.54) FFAR1MRGPRX4ARMERTKSCN9A
SCHEMBL10088434 0.78 AR (0.65) FFAR1MRGPRX4ARMERTKHTR2A
SCHEMBL851606 0.77 PARP15 (0.55) PARP15PARP10PARP2MEN1KMT2A
SCHEMBL11264623 0.77 FFAR1 (0.58) FFAR1MRGPRX4ARPKMTBXA2R
SCHEMBL505264 0.76 PARP15 (0.71) PARP15PARP10PARP2MEN1KMT2A
SCHEMBL14334473 0.76 AR (0.54) FFAR1ARMERTKMEN1KMT2A

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 3640/4885MRGPRX4 363/4885PARP15 118/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 FFAR1 3640/4885MRGPRX4 363/4885PARP15 118/4885

“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.