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Sugi Predict / Compounds / SCHEMBL1242300

SCHEMBL1242300

SCHEMBL1242300

COC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.51
▸ NOTUM Q6P988 2/20 0.42
▸ RAB9A P51151 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PTGFR P43088 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PKM P14618 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
SCHEMBL3647960 0.86 GPR35 (0.57) GPR35RAB9ASMN1; SMN2TP53MAPT
SCHEMBL31128806 0.82 TDP1 (0.43) RAB9ACYP1A2SMN1; SMN2CYP2D6CYP2C19
SCHEMBL13809220 0.82 GPR35 (0.51) GPR35NOTUMRAB9ACYP1A2SMN1; SMN2
SCHEMBL1504061 0.82 RAB9A (0.61) GPR35RAB9ACYP1A2SMN1; SMN2CYP2D6
SCHEMBL2359710 0.81 ALDH1A1 (0.54) RAB9ACYP1A2SMN1; SMN2CYP2D6CYP2C19
SCHEMBL38658497 0.81 ALDH1A1 (0.54) RAB9ACYP1A2SMN1; SMN2CYP2D6CYP2C19
SCHEMBL15682835 0.81 RAB9A (0.41) RAB9ACYP1A2SMN1; SMN2CYP2D6CYP2C19
SCHEMBL21138715 0.80 ALDH1A1 (0.57) RAB9ASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL1242223 0.80 IDH1 (0.47) GPR35RAB9ASMN1; SMN2MAPTPTGFR
SCHEMBL24754704 0.78 RAB9A (0.56) GPR35RAB9ACYP1A2SMN1; SMN2CYP2C19

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 16 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-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
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 — — EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 — — US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 — — US disclosed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 — — WO 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
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
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 GPR35 3149/4885NOTUM 1689/4885RAB9A 3464/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 GPR35 3149/4885NOTUM 1689/4885RAB9A 3464/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 GPR35 4233/4885NOTUM 2158/4885RAB9A 3183/4885

“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.