SCHEMBL4026079

SCHEMBL4026079

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.50
CYP2D6 P10635 1/20 0.50
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
PDPK1 O15530 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACP3 P15309 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL195532 1.00 SRC (0.50) SRCCYP2D6LMNAMAPK1L3MBTL1
SCHEMBL7955519 1.00 SRC (0.50) SRCCYP2D6LMNAMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL2529822 0.98 SRC (0.48) SRCCYP2D6LMNAMAPK1L3MBTL1
SCHEMBL29773675 0.98 SRC (0.48) SRCCYP2D6LMNAMAPK1L3MBTL1
Methyl Alcohol SCHEMBL5139174 0.96 SRC (0.46) SRCCYP2D6LMNAMAPK1L3MBTL1
SCHEMBL28044484 0.86 CYP2D6 (0.44) SRCCYP2D6LMNAMAPK1L3MBTL1
SCHEMBL6971672 0.84 CYP2D6 (0.43) SRCCYP2D6LMNAMAPK1L3MBTL1
SCHEMBL1483540 0.84 EPHX1 (0.46) SRCCYP2D6LMNAMAPK1L3MBTL1
SCHEMBL3435446 0.83 PTPN5 (0.46) SRCCYP2D6HDAC4
SCHEMBL11034663 0.83 ESR1 (0.56) SRCL3MBTL1TDP1

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 4 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
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
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 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 (1 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-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

“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.