Sugi Predict

Sugi Predict / Compounds / SCHEMBL17485220

SCHEMBL17485220

SCHEMBL17485220

O=C(O)[C@H](OS(=O)(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.52
▸ CYP2D6 P10635 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ PPARA Q07869 4/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL19179660 1.00 SRC (0.52) SRCCYP2D6LMNAMAPK1ALDH1A1
SCHEMBL19179659 0.86 SRC (0.48) SRCCYP2D6LMNAMAPK1ALDH1A1
SCHEMBL4926455 0.84 ALDH1A1 (0.49) SRCCYP2D6LMNAMAPK1ALDH1A1
SCHEMBL9342917 0.84 ALDH1A1 (0.49) SRCCYP2D6LMNAMAPK1ALDH1A1
SCHEMBL2754357 0.83 ALDH1A1 (0.57) SRCLMNAALDH1A1CYP3A4CYP2C19
SCHEMBL9451399 0.82 SRC (0.46) SRCCYP2D6LMNAMAPK1ALDH1A1
SCHEMBL7638229 0.79 PPARA (0.46) SRCCYP2D6ALDH1A1PPARAHSD11B1
SCHEMBL23633133 0.77 SRC (0.47) SRCCYP2D6LMNAMAPK1ALDH1A1
SCHEMBL777203 0.77 SRC (0.47) SRCCYP2D6LMNAMAPK1ALDH1A1
SCHEMBL8400939 0.76 SRC (0.54) SRCCYP2D6LMNAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174855-B1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM MEDIVATION TECH LLC (US) 2023-05-10 — — EP disclosed
EP-3174855-B1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM MEDIVATION TECH LLC (US) 2023-05-10 — — EP disclosed
US-20210094930-A1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM MEDIVATION TECH LLC (US) 2021-04-01 — — US disclosed
US-20210094930-A1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM MEDIVATION TECH LLC (US) 2021-04-01 — — US disclosed
US-20190106401-A1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM MEDIVATION TECH LLC (US) 2019-04-11 — — US disclosed
US-20190106401-A1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM MEDIVATION TECH LLC (US) 2019-04-11 — — US disclosed
US-20170217921-A1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM MEDIVATION TECHNOLOGIES INC (US) 2017-08-03 — — US disclosed
US-20170217921-A1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM MEDIVATION TECHNOLOGIES INC (US) 2017-08-03 — — US disclosed
US-20170217921-A1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM MEDIVATION TECHNOLOGIES INC (US) 2017-08-03 — — US disclosed
WO-2016019125-A1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM BIOMARIN PHARMACEUTICAL INC. (US) 2016-02-04 — — 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 (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-20170217921-A1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM SLC16A3, CYP4F3, CA3 SRC 3233/4885CYP2D6 414/4885LMNA 3072/4885
US-20210094930-A1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM SLC16A3, TET3, TET1 SRC 3750/4885CYP2D6 236/4885LMNA 3533/4885
US-20190106401-A1 COFORMER SALTS OF (2S,3S)-METHYL 7-FLUORO-2-(4-FLUOROPHENYL)-3-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-5-CARBOXYLATE AND METHODS OF PREPARING THEM SLC16A3, CYP4F3, CA3 SRC 3233/4885CYP2D6 414/4885LMNA 3072/4885

“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.