Sugi Predict

Sugi Predict / Compounds / SCHEMBL4099189

SCHEMBL4099189

SCHEMBL4099189

NC(=O)c1ccc(OC(F)(F)F)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ ST14 Q9Y5Y6 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ EPHX2 P34913 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
SCHEMBL13733032 0.87 SLC6A2 (0.45) SLC6A2SLC6A4TSHRAPOBEC3AHTT
SCHEMBL1918950 0.85 RXRA (0.47) ALDH1A1TSHRHTTMGLLCYP1A2
SCHEMBL29784280 0.85 RXRA (0.47) ALDH1A1TSHRHTTMGLLCYP1A2
SCHEMBL10976235 0.85 ALDH1A1 (0.46) SLC6A2SLC6A4ALDH1A1MGLLF2
SCHEMBL5156835 0.83 ALDH1A1 (0.45) SLC6A2SLC6A4ALDH1A1MGLLF2
SCHEMBL12293763 0.83 ALDH1A1 (0.45) ALDH1A1MGLLF2PLAUST14
SCHEMBL2690674 0.81 EPHX2 (0.55) SLC6A2SLC6A4HTTPARP1KMT2A
SCHEMBL6112777 0.81 SLC6A2 (0.49) SLC6A2SLC6A4ALDH1A1HTTKMT2A
SCHEMBL4314290 0.81 NOTUM (0.63) ALDH1A1HTTMGLLKMT2AL3MBTL1
SCHEMBL1109099 0.80 SLC6A2 (0.48) SLC6A2SLC6A4PARP1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 — — EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 — — EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 — — EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 — — WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 — — EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 — — EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 — — US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 — — US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 — — US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 — — US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 — — EP disclosed
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 — — EP disclosed
EP-1585541-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2005-10-19 — — EP disclosed
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability NOVO NORDISK A/S (DK) 2005-03-24 — — US disclosed
WO-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 — — WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 — — WO disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 — — WO disclosed
EP-1429763-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-06-23 — — EP disclosed
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer NOVO NORDISK A/S (DK) 2003-12-11 — — US disclosed
WO-2003027081-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2003-04-03 — — 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 SLC6A2 1397/4885SLC6A4 987/4885ALDH1A1 2251/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 SLC6A2 1397/4885SLC6A4 987/4885ALDH1A1 2251/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 SLC6A2 4402/4885SLC6A4 2752/4885ALDH1A1 4873/4885
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability IAPP, IRS1, INSR SLC6A2 4701/4885SLC6A4 3238/4885ALDH1A1 4878/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB SLC6A2 4144/4885SLC6A4 1932/4885ALDH1A1 4836/4885

“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.