SCHEMBL1241369

SCHEMBL1241369

CC(C)(C)c1ccc(CNc2cc(Br)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ADRA2A P08913 1/20 0.43
PPARA Q07869 1/20 0.41
FFAR1 O14842 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ACP1 P24666 1/20 0.40
TRPA1 O75762 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
P2RX1 P51575 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL6696014 0.90 CA1 (0.50) CA1CA2ADRA2APPARAFFAR1
SCHEMBL6692355 0.88 ADRA2A (0.49) CA1CA2ADRA2APPARAFFAR1
SCHEMBL28383048 0.83 MAPT (0.58) ACP1
SCHEMBL1241537 0.82 CA1 (0.47) CA1CA2TRPV1EPHX2NR1H4
SCHEMBL6692367 0.82 AGER (0.50) ADRA2APPARAFFAR1TRPA1P2RX1
SCHEMBL6691557 0.80 FFAR1 (0.54) ADRA2APPARAFFAR1TRPA1P2RX1
SCHEMBL1242177 0.79 CA1 (0.50) CA1CA2FFAR1TRPV1EPHX2
Ammonia Solution, Strong SCHEMBL6691468 0.78 LMNA (0.50) CA1CA2PPARAFFAR1
SCHEMBL1241386 0.78 CA1 (0.48) CA1CA2PPARAFFAR1TRPV1
SCHEMBL13581155 0.77 AGER (0.61) CA1CA2TRPV1EPHX2NR1H4

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-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US 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 (3 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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 CA1 298/4885CA2 540/4885ADRA2A 1625/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 CA1 298/4885CA2 540/4885ADRA2A 1625/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 CA1 2233/4885CA2 2722/4885ADRA2A 3849/4885

“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.