Sugi Predict

Sugi Predict / Compounds / SCHEMBL2887382

SCHEMBL2887382

SCHEMBL2887382

O=C(O)C(C(=O)O)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ GRM8 O00222 1/20 0.40
▸ GRM4 Q14833 1/20 0.40

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
SCHEMBL2887378 1.00 ALDH1A1 (0.47) ALDH1A1HIF1AKMT2AMAPTMEN1
SCHEMBL6611992 0.85 ALDH1A1 (0.46) ALDH1A1HIF1AKMT2AMAPTMEN1
SCHEMBL16216330 0.84 AKR1C3 (0.52) ALDH1A1HIF1AKMT2AMAPTMEN1
SCHEMBL16207559 0.84 AKR1C3 (0.52) ALDH1A1HIF1AKMT2AMAPTMEN1
SCHEMBL2997140 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL2997136 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL4405560 0.81 ALDH1A1 (0.52) ALDH1A1HIF1AKMT2AMAPTMEN1
SCHEMBL1640119 0.80 AKR1C3 (0.55) ALDH1A1HIF1AKMT2AMAPTMEN1
SCHEMBL1640118 0.80 AKR1C3 (0.55) ALDH1A1HIF1AKMT2AMAPTMEN1
SCHEMBL2728943 0.80 TDP1 (0.46) ALDH1A1KMT2AMAPTMEN1GAA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896437-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 — — US disclosed
US-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-05 — — US disclosed
EP-2397469-B1 Diarylhydantoin compounds UNIV CALIFORNIA (US) 2014-12-31 — — EP disclosed
US-8680291-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-25 — — US disclosed
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2013-10-03 — — US disclosed
EP-2620432-A2 Diarylhydantoin compounds The Regents Of the University of California (US) 2013-07-31 — — EP disclosed
US-8314147-B2 Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-11-20 — — US disclosed
US-8252833-B2 Benzo (f) isoindol-2-ylphenyl acetic acid derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-08-28 — — US disclosed
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 — — EP disclosed
EP-1979316-B1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-07-11 — — EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 — — WO disclosed
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 — — US disclosed
WO-2009055053-A2 DIARYLHYDANTOIN COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 — — WO disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 — — US disclosed
EP-1979317-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2008-10-15 — — EP disclosed
EP-1979316-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-15 — — EP disclosed
US-20080167377-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2008-07-10 — — US disclosed
WO-2008071736-A1 BENZAMIDE DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-19 — — WO disclosed
WO-2007088189-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2007-08-09 — — WO disclosed
WO-2007088190-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-08-09 — — 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 (5 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-20080167377-A1 Novel compounds F12, C1R, MRGPRX1 ALDH1A1 2581/4885HIF1A 3141/4885KMT2A 4122/4885
US-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, ACP3, AR ALDH1A1 543/4885HIF1A 1208/4885KMT2A 522/4885
US-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 ALDH1A1 598/4885HIF1A 358/4885KMT2A 2252/4885
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, ACP3, AR ALDH1A1 543/4885HIF1A 1208/4885KMT2A 522/4885
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 ALDH1A1 1228/4885HIF1A 2880/4885KMT2A 1792/4885

“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.