SCHEMBL851769

SCHEMBL851769

N#Cc1ccc(Oc2cc(OCCc3ccccc3)cc(C(=O)O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
FFAR1 O14842 3/20 0.49
ABCB1 P08183 1/20 0.47
HPGD P15428 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
PPARG P37231 1/20 0.47
MAOB P27338 1/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PLA2G4B P0C869 1/20 0.45
MMP2 P08253 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PKM P14618 1/20 0.44
KCNA5 P22460 1/20 0.44
SLC16A3 O15427 1/20 0.44

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
SCHEMBL851273 0.87 PPARG (0.49) KMT2AFFAR1ABCB1HPGDABCG2
SCHEMBL851770 0.83 AKR1C3 (0.52) KMT2AFFAR1PLA2G4BNPC1RAB9A
SCHEMBL851979 0.83 PARP15 (0.62) MEN1KMT2AALDH1A1MAPTMMP2
SCHEMBL851678 0.82 MEN1 (0.60) MEN1KMT2AFFAR1MAOBPARP15
SCHEMBL851730 0.82 FFAR1 (0.60) MEN1KMT2AFFAR1MAOBFFAR4
SCHEMBL14966550 0.82 ALDH1A1 (0.59) FFAR1PPARDPPARAALDH1A1MAPT
SCHEMBL3714917 0.81 MAOB (0.68) FFAR1ABCB1HPGDABCG2MAOB
SCHEMBL2038616 0.78 KMT2A (0.60) MEN1KMT2AFFAR1PPARGALDH1A1
SCHEMBL9325662 0.77 MEN1 (0.68) MEN1KMT2AFFAR1PPARGMAOB
SCHEMBL4327125 0.77 PKM (0.73) MEN1KMT2AFFAR1PPARGPLA2G4B

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 MEN1 258/4885KMT2A 3122/4885FFAR1 3640/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MEN1 258/4885KMT2A 3122/4885FFAR1 3640/4885

“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.