SCHEMBL890462

SCHEMBL890462

NC(CC(F)(F)C(F)(F)C(F)(F)F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
SLC1A1 P43005 4/20 0.37
SLC1A3 P43003 3/20 0.37
SLC1A2 P43004 3/20 0.37
GSR P00390 2/20 0.37
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
GRM1 Q13255 2/20 0.37
GRM2 Q14416 2/20 0.37
SLC7A5 Q01650 1/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CYP1A2 P05177 1/20 0.37
GRM5 P41594 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37

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
SCHEMBL890461 1.00 PTGS1 (0.39) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL5371555 0.92 THRB (0.40) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL890551 0.86 PTGS1 (0.42) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL890552 0.86 PTGS1 (0.42) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL11243408 0.78 GRB2 (0.40) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL18774923 0.77 PTGS1 (0.42) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL15962510 0.77 PTGS1 (0.42) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL3905797 0.77 NOS2 (0.40) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL76553 0.77 PTGS1 (0.46) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL4533762 0.77 PTGS1 (0.46) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-20250171500-A1 CONFORMATIONALLY STABILIZED RSV PRE-FUSION F PROTEINS CALDER BIOSCIENCES INC (US) 2025-05-29 US disclosed
US-20250092094-A1 CONFORMATIONALLY STABILIZED RSV PRE-FUSION F PROTEINS CALDER BIOSCIENCES INC (US) 2025-03-20 US disclosed
US-20240238369-A1 Conformationally Specific Viral Immunogens CALDER BIOSCIENCES INC (US) 2024-07-18 US disclosed
US-11993633-B2 Conformationally stabilized RSV pre-fusion F proteins CALDER BIOSCIENCES INC (US) 2024-05-28 US disclosed
US-11926649-B2 Conformationally stabilized RSV pre-fusion F proteins CALDER BIOSCIENCES INC (US) 2024-03-12 US disclosed
US-11752191-B2 Conformationally-specific viral immunogens CALDER BIOSCIENCES INC (US) 2023-09-12 US disclosed
US-20230054569-A1 COMPOSITIONS AND METHODS FOR TREATING RETINITIS PIGMENTOSA ALIA THERAPEUTICS SRL (IT) 2023-02-23 US disclosed
US-20230053714-A1 CONFORMATIONALLY STABILIZED RSV PRE-FUSION F PROTEINS CALDER BIOSCIENCES INC (US) 2023-02-23 US disclosed
EP-4077674-A1 COMPOSITIONS AND METHODS FOR TREATING RETINITIS PIGMENTOSA Alia Therapeutics S.R.L. (IT) 2022-10-26 EP disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US disclosed
US-20020061549-A1 Stabilized proteins CALDER BIOSCIENCES INC. 2002-05-23 US disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001029247-A1 STABILIZED PROTEINS AVATAR MEDICAL, LLC (US) 2001-04-26 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 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 (2 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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 PTGS1 118/4885SLC7A11 2028/4885SLC1A1 2630/4885
US-20230054569-A1 COMPOSITIONS AND METHODS FOR TREATING RETINITIS PIGMENTOSA RHOC, PDE6C, PDE6H PTGS1 1969/4885SLC7A11 4322/4885SLC1A1 4055/4885

“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.