SCHEMBL76553

SCHEMBL76553

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.46
SLC1A1 P43005 4/20 0.42
SLC1A3 P43003 3/20 0.42
SLC1A2 P43004 3/20 0.42
GSR P00390 2/20 0.42
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
GRM1 Q13255 2/20 0.42
GRM2 Q14416 2/20 0.42
SLC7A5 Q01650 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CYP1A2 P05177 1/20 0.42
GRM5 P41594 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42

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
SCHEMBL2627414 1.00 PTGS1 (0.46) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL4533762 1.00 PTGS1 (0.46) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL789747 0.97 PTGS1 (0.44) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL21411569 0.97 PTGS1 (0.44) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL890414 0.80 SLC7A5 (0.44) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL1146973 0.80 SLC7A5 (0.44) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL2263477 0.80 PTGS1 (0.42) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL890415 0.80 SLC7A5 (0.44) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL15962510 0.80 PTGS1 (0.42) PTGS1SLC7A11SLC1A1SLC1A3SLC1A2
SCHEMBL890552 0.80 PTGS1 (0.42) 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 661 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303647-A1 CYCLIC CHEMERIN-9 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-28 US claimed
EP-4196143-A1 CYCLIC CHEMERIN-9 DERIVATIVES Bayer Aktiengesellschaft (DE) 2023-06-21 EP claimed
CN-115710820-A Water-repellent and oil-repellent finishing agent and preparation method thereof 苏州联胜化学有限公司 2023-02-24 CN claimed
US-20220211899-A1 PEPTIDE EXHIBITING EXCELLENT ADHESION TO RESINS AND BIOCOMPATIBLE FUNCTIONAL MATERIAL USING SAME HITACHI, LTD. (JP) 2022-07-07 US claimed
WO-2022034057-A1 CYCLIC CHEMERIN-9 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-02-17 WO claimed
EP-3954698-A1 PEPTIDE EXHIBITING EXCELLENT ADHESION TO RESINS AND BIOCOMPATIBLE FUNCTIONAL MATERIAL USING SAME Hitachi, Ltd. (JP) 2022-02-16 EP claimed
US-10800816-B2 TFPI inhibitors and methods of use Baxalta GmbH (CH) 2020-10-13 US claimed
EP-2827883-B1 TFPI INHIBITORS AND METHODS OF USE Baxalta GmbH (CH) 2019-05-08 EP claimed
US-20180155399-A1 TFPI INHIBITORS AND METHODS OF USE Baxalta GmbH (CH) 2018-06-07 US claimed
US-9873720-B2 TFPI inhibitors and methods of use Baxalta GmbH (CH) 2018-01-23 US claimed
US-8450275-B2 TFPI inhibitors and methods of use BAXTER INTERNATIONAL INC. (US) 2013-05-28 US claimed
EP-2547355-A2 TFPI INHIBITORS AND METHODS OF USE Baxter International Inc. (US) 2013-01-23 EP claimed
US-20120028901-A1 TFPI INHIBITORS AND METHODS OF USE BAXTER INTERNATIONAL INC. (US) 2012-02-02 US claimed
WO-2011115712-A2 TFPI INHIBITORS AND METHODS OF USE BAXTER INTERNATIONAL INC (US) 2011-09-22 WO claimed
CN-1455663-A Novel aerosol formulation containing polar fluorinated molecule ASTRAZENECA AB (SE) 2003-11-12 CN claimed
US-20030194378-A1 Novel aerosol formulation containing a polar fluorinated molecule ASTRAZENECA AB (SE) 2003-10-16 US claimed
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP claimed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO claimed
EP-1084137-A1 PEPTIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2001-03-21 EP claimed
WO-1999064442-A1 PEPTIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 1999-12-16 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120028901-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F3 PTGS1 1204/4885SLC7A11 3554/4885SLC1A1 3860/4885
US-20180155399-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F13B PTGS1 1153/4885SLC7A11 3386/4885SLC1A1 3615/4885
US-20230303647-A1 CYCLIC CHEMERIN-9 DERIVATIVES CMKLR1, CMKLR2, CCL2 PTGS1 605/4885SLC7A11 1010/4885SLC1A1 3131/4885
US-10800816-B2 TFPI inhibitors and methods of use TFPI, TFPI2, F13B PTGS1 1153/4885SLC7A11 3386/4885SLC1A1 3615/4885

“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.