SCHEMBL1795688

SCHEMBL1795688

O=C(N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.60
GPR34 Q9UPC5 1/20 0.57
KIFC1 Q9BW19 1/20 0.56
TACR1 P25103 2/20 0.54
FPR2 P25090 1/20 0.54
MGLL Q99685 1/20 0.53
ITGB3 P05106 6/20 0.52
ITGAV P06756 1/20 0.52
ITGA2B P08514 5/20 0.52
CTSL P07711 2/20 0.50
CTSK P43235 2/20 0.50
NR1I2 O75469 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50
SLC6A2 P23975 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
SCHEMBL4368353 0.88 FPR2 (0.62) TGM2GPR34TACR1FPR2MGLL
SCHEMBL3987614 0.88 FPR2 (0.62) TGM2GPR34TACR1FPR2MGLL
SCHEMBL29972959 0.84 GPR34 (0.56) GPR34TACR1ITGB3ITGAVITGA2B
SCHEMBL7480565 0.84 GPR34 (0.56) GPR34TACR1ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL3051082 0.84 ITGB3 (0.55) TACR1ITGB3ITGAVITGA2BCTSL
SCHEMBL9825830 0.84 TYR (0.58) TACR1ITGB3ITGAVITGA2BCTSL
SCHEMBL5288135 0.84 TYR (0.58) TACR1ITGB3ITGAVITGA2BCTSL
SCHEMBL1519920 0.83 ACE (0.61) GPR34KIFC1FPR2ITGB3ITGAV
SCHEMBL3556619 0.83 ACE (0.61) GPR34KIFC1FPR2ITGB3ITGAV
SCHEMBL29907930 0.83 ACE (0.61) GPR34KIFC1FPR2ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 US disclosed
EP-2027143-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2009-02-25 EP disclosed
WO-2007137080-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2007-11-29 WO disclosed
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 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-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 TGM2 2442/4885GPR34 3213/4885KIFC1 3557/4885
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 TGM2 2442/4885GPR34 3213/4885KIFC1 3557/4885

“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.