Sugi Predict

Sugi Predict / Compounds / SCHEMBL4123831

SCHEMBL4123831

SCHEMBL4123831

CCc1ccc(C(=O)OC)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.51
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA7 P43166 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ XDH P47989 2/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAPT P10636 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ CASP1 P29466 1/20 0.46

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
SCHEMBL25933615 0.88 DPP4 (0.48) DPP4CA1CA2CA12CA7
SCHEMBL27150109 0.88 DPP4 (0.50) DPP4CA1CA2CA12CA7
SCHEMBL9306207 0.86 DPP4 (0.49) DPP4CA1CA2CA12CA7
SCHEMBL1495847 0.86 LOXL2 (0.54) DPP4CA1CA2CA12CA7
SCHEMBL197186 0.86 DPP4 (0.49) DPP4CA1CA2CA12CA7
SCHEMBL4115648 0.86 CA12 (0.50) DPP4CA1CA2CA12CA7
SCHEMBL19304427 0.85 L3MBTL1 (0.48) DPP4CA1CA2CA12CA7
Hydrochloric Acid SCHEMBL12499887 0.85 LOXL2 (0.53) DPP4CA1CA2CA12CA7
SCHEMBL3653076 0.85 DPP4 (0.51) DPP4CA1CA2CA12CA7
SCHEMBL8733705 0.85 DPP4 (0.48) DPP4CA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 — — WO disclosed
WO-2022129041-A1 PRODRUGS OF 3-BENZOAMIDO-2-AMINOPROPIONIC ACID DERIVATIVES AS MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 — — WO disclosed
WO-2022129041-A1 PRODRUGS OF 3-BENZOAMIDO-2-AMINOPROPIONIC ACID DERIVATIVES AS MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 — — WO disclosed
WO-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 — — WO disclosed
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS MIDWESTERN UNIVERSITY 2021-04-01 — — US disclosed
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 — — EP disclosed
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 — — EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 — — EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 — — EP disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 — — US disclosed
US-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-07-10 — — US disclosed
US-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-07-10 — — US disclosed
US-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-07-10 — — US disclosed
WO-2014089364-A1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS, INC (US) 2014-06-12 — — WO disclosed
WO-2014089364-A1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS, INC (US) 2014-06-12 — — WO disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 — — US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 — — EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 — — US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 — — 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 DPP4 4223/4885CA1 4516/4885CA2 2821/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 DPP4 4223/4885CA1 4516/4885CA2 2821/4885
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS ASPH, BACE1, DNPEP DPP4 79/4885CA1 294/4885CA2 2174/4885
US-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A DPP4 523/4885CA1 3056/4885CA2 1919/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 DPP4 654/4885CA1 4743/4885CA2 4307/4885

“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.