SCHEMBL6402645

SCHEMBL6402645

CC(C)Oc1cccc(C(O)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.53
LMNA P02545 3/20 0.52
MAPK1 P28482 1/20 0.52
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
ALDH1A1 P00352 3/20 0.46
ACHE P22303 3/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
BCHE P06276 2/20 0.45
MARK4 Q96L34 1/20 0.45
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.44
NSD2 O96028 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL6396086 1.00 PTGS1 (0.53) PTGS1LMNAMAPK1RXRARXRB
SCHEMBL6396089 1.00 PTGS1 (0.53) PTGS1LMNAMAPK1RXRARXRB
SCHEMBL6400603 0.84 L3MBTL1 (0.58) PTGS1LMNAMAPK1BLMNPSR1
SCHEMBL1416702 0.84 PTGS1 (0.73) PTGS1LMNAMAPK1RXRARXRB
SCHEMBL503788 0.84 L3MBTL1 (0.58) PTGS1LMNAMAPK1BLMNPSR1
SCHEMBL503789 0.84 L3MBTL1 (0.58) PTGS1LMNAMAPK1BLMNPSR1
SCHEMBL6055421 0.82 RXRA (0.47) PTGS1RXRARXRBALDH1A1ACHE
SCHEMBL21501376 0.81 AKR1C3 (0.55) PTGS1LMNAALDH1A1BLMNPSR1
SCHEMBL8589033 0.81 PTGS1 (0.51) PTGS1LMNARXRARXRBALDH1A1
SCHEMBL5746015 0.81 PTGS1 (0.51) PTGS1LMNARXRARXRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921758-B2 Amino acid derivatives ASTRAZENECA AB (SE) 2005-07-26 US disclosed
US-20040087647-A1 NEW AMINO ACID DERIVATIVES ASTRAZENECA AB 2004-05-06 US disclosed
US-6617320-B2 Protease inhibitor; anticoagulants ASTRAZENECA AB (SE) 2003-09-09 US disclosed
EP-0836615-B1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE ASTRAZENECA AB (SE) 2003-04-23 EP disclosed
US-20020042396-A1 Amino acid derivatives ASTRA AB 2002-04-11 US disclosed
US-6051568-A Thrombin inhibitors, their preparation and use ASTRA AKTIEBOLAG (SE) 2000-04-18 US disclosed
US-5773620-A Quaternary ammonium salts of aromatic amine compounds, their preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-30 US disclosed
US-5770735-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-23 US disclosed
EP-0836615-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE Astra Aktiebolag (SE) 1998-04-22 EP disclosed
US-5674881-A NEUROKININ RECEPTOR ANTAGONISTS ELF SANOFI (FR) 1997-10-07 US disclosed
US-5625060-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions on which they are present Sanofi, Elf (FR) 1997-04-29 US disclosed
WO-1997002284-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE ASTRA AKTIEBOLAG (SE) 1997-01-23 WO disclosed
US-5340822-A Substance P, neurokinin antagonists ELF SANOFI (FR) 1994-08-23 US 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-20020042396-A1 Amino acid derivatives F2, SERPINC1, ARGLU1 PTGS1 441/4885LMNA 3361/4885MAPK1 1223/4885
US-20040087647-A1 NEW AMINO ACID DERIVATIVES F2, ANPEP, PEPD PTGS1 366/4885LMNA 2654/4885MAPK1 1138/4885

“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.