Sugi Predict

Sugi Predict / Compounds / SCHEMBL1999627

SCHEMBL1999627

SCHEMBL1999627

CCOC(=O)c1cc(C)c2cc(Br)ccc2n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.78
▸ SMN1; SMN2 Q16637 2/20 0.78
▸ ATM Q13315 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ ELANE P08246 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ GABRA1 P14867 1/20 0.45
▸ GABRB1 P18505 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ HTT P42858 2/20 0.44

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
SCHEMBL25217075 0.88 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2ATMMAPTMAPK1
SCHEMBL28958692 0.86 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2ATMMAPTMAPK1
SCHEMBL4483729 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2ATMMAPTCYP1A2
SCHEMBL30617285 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2ATMMAPTMAPK1
SCHEMBL20951832 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2ATMMAPTMAPK1
SCHEMBL28404446 0.82 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2ATMMAPTMAPK1
SCHEMBL28121717 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTGAARXFP1
SCHEMBL6889759 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTMAPK1CYP1A2
SCHEMBL25698476 0.81 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MAPTMAPK1CYP1A2
SCHEMBL2001591 0.80 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2ATMMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278821-B Spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-10-03 — — CN disclosed
EP-3704114-B1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 — — EP disclosed
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 — — US disclosed
CN-106336378-B Preparation method of quinoline-2-formic ether series 江西师范大学 2021-06-11 — — CN disclosed
EP-3704114-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 — — EP disclosed
CN-111278821-A Spiro compounds as farnesoid X receptor modulators 百时美施贵宝公司 2020-06-12 — — CN disclosed
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 — — US disclosed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 — — US disclosed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 — — US disclosed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 — — US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 — — US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 — — US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 — — US disclosed
EP-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 — — EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 — — WO disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 — — WO disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 — — US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 — — US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 — — 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 (4 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-20100120775-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 ALDH1A1 2326/4885SMN1; SMN2 4771/4885ATM 3314/4885
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 ALDH1A1 2649/4885SMN1; SMN2 4433/4885ATM 2123/4885
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 ALDH1A1 2649/4885SMN1; SMN2 4433/4885ATM 2123/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 ALDH1A1 2326/4885SMN1; SMN2 4771/4885ATM 3314/4885

“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.