SCHEMBL2647027

SCHEMBL2647027

COC(=O)C(F)(F)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
ACLY P53396 2/20 0.37
KCNN4 O15554 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DGAT1 O75907 1/20 0.33
CTRB1 P17538 1/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL9826810 0.81 TSHR (0.42) TSHRGAAALDH1A1KDM4EDGAT1
SCHEMBL25288451 0.80 ACLY (0.39) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL28235073 0.78 ACLY (0.38) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL10891188 0.77 POLB (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL11056460 0.77 TSHR (0.40) TSHRKCNN4ALDH1A1KDM4EDGAT1
SCHEMBL2069147 0.76 ACLY (0.50) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL1583583 0.75
SCHEMBL3608850 0.75
SCHEMBL8656249 0.75 TSHR (0.59) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL3322447 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344597-B2 Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis IDORSIA PHARMACEUTICALS LTD (CH) 2025-07-01 US disclosed
CN-112236424-B Alkoxy-substituted pyridinyl derivatives 爱杜西亚药品有限公司 2024-03-15 CN disclosed
US-20050059611-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-03-17 US disclosed
US-6821960-B2 Glucagon antagonists/inverse agonists NOYO NORDISK PHARMACEUTICALS, INC. 2004-11-23 US disclosed
EP-1345891-A1 GLUCAGON ANTAGONIST/INVERSE AGONIST Novo Nordisk A/S (DK) 2003-09-24 EP disclosed
US-20030027849-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-02-06 US disclosed
WO-2002040446-A1 GLUCAGON ANTAGONIST/INVERSE AGONIST NOVO NORDISK A/S (DK) 2002-05-23 WO disclosed
WO-2002040446-A1 GLUCAGON ANTAGONIST/INVERSE AGONIST NOVO NORDISK A/S (DK) 2002-05-23 WO disclosed
EP-0220409-B1 GEM-DIHALO AND TETRAHALO-1,12-DIAMINO-4,9-DIAZA-DODECANES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-11-27 EP disclosed
EP-0215319-B1 GEM-DIHALO-1,8-DIAMINO-4-AZA-OCTANES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-16 EP disclosed
US-4914240-A PROTECTING DIHALO BUTANEDIOL, REACTING WITH POTASSIUM PHTHALIMINDE, DEPROTECTING; MULTISTEP MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-03 US disclosed
US-4851448-A Gem-dihalo-1,8-diamino-4-aza-octanes MERRELL DOW PHARMACEUTICALS INC. (US) 1989-07-25 US disclosed
US-4778926-A ANTITUMOR AND ANTIGROWTH AGENTS; CHEMICAL INTERMEDIATES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-10-18 US disclosed
US-4719313-A ANTITUMOR MERRELL DOW PHARMACEUTICALS INC. (US) 1988-01-12 US disclosed
US-4695654-A ANTITUMOR AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1987-09-22 US disclosed
EP-0220409-A2 Gem-dihalo and tetrahalo-1,12-diamino-4,9-diaza-dodecanes MERRELL DOW PHARMACEUTICALS INC. (US) 1987-05-06 EP disclosed
EP-0215319-A2 Gem-dihalo-1,8-diamino-4-aza-octanes MERRELL DOW PHARMACEUTICALS INC. (US) 1987-03-25 EP 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-12344597-B2 Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis LPAR1, LPAR3, LPAR2 HMGCR 1467/4885CHRM1 74/4885TBXA2R 85/4885
US-20050059611-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR HMGCR 1020/4885CHRM1 1171/4885TBXA2R 183/4885
US-20030027849-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR HMGCR 1020/4885CHRM1 1171/4885TBXA2R 183/4885

“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.