SCHEMBL585200

SCHEMBL585200

Cc1c(F)cc(CCC(=O)O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
KEAP1 Q14145 1/20 0.47
FFAR1 O14842 12/20 0.46
FFAR4 Q5NUL3 5/20 0.46
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL21346911 0.91 NPSR1 (0.48) NPSR1KEAP1FFAR1FFAR4THRA
SCHEMBL26759286 0.89 HDAC1 (0.50) NPSR1FFAR1FFAR4HDAC1HDAC6
SCHEMBL584290 0.83 KEAP1 (0.50) NPSR1KEAP1FFAR1FFAR4THRA
SCHEMBL28122739 0.82 KEAP1 (0.48) NPSR1KEAP1FFAR1FFAR4THRA
SCHEMBL25219212 0.80 KEAP1 (0.47) KEAP1FFAR1FFAR4THRATHRB
SCHEMBL585740 0.79 FFAR1 (0.55) NPSR1KEAP1FFAR1FFAR4
SCHEMBL10480367 0.79 FFAR4 (0.51) FFAR1FFAR4
SCHEMBL26729959 0.79 HDAC1 (0.44) THRATHRBHDAC1HDAC6
SCHEMBL18258239 0.79 NPSR1 (0.57) NPSR1KEAP1FFAR1FFAR4THRA
SCHEMBL5670212 0.78 KEAP1 (0.64) NPSR1KEAP1FFAR1FFAR4THRA

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-20230348378-A1 SMALL MOLECULE ALBUMIN BINDERS OREGON HEALTH & SCIENCE UNIVERSITY 2023-11-02 US disclosed
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 US disclosed
EP-2125823-B1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 US disclosed
EP-2059520-B1 1,4,5,6,7,8-HEXAHYDRO-I,2,5-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-02-24 EP disclosed
US-20100029617-A1 1,4,5,6,7,8-HEXAHYDRO-1,2,5-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 US disclosed
US-20100029617-A1 1,4,5,6,7,8-HEXAHYDRO-1,2,5-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 US disclosed
US-20100029617-A1 1,4,5,6,7,8-HEXAHYDRO-1,2,5-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 US disclosed
EP-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
EP-2059520-A1 1,4,5,6, 7,8-HEXAHYDRO-I^1S-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-05-20 EP disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 WO disclosed
WO-2008026149-A1 1,4,5,6, 7,8-HEXAHYDRO-I^1S-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-06 WO disclosed
WO-2008026149-A1 1,4,5,6, 7,8-HEXAHYDRO-I^1S-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-06 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 (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-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R NPSR1 12/4885KEAP1 1215/4885FFAR1 192/4885
US-20100029617-A1 1,4,5,6,7,8-HEXAHYDRO-1,2,5-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY5R NPSR1 28/4885KEAP1 802/4885FFAR1 137/4885
US-20230348378-A1 SMALL MOLECULE ALBUMIN BINDERS ALB, FABP1, FABP3 NPSR1 2907/4885KEAP1 2537/4885FFAR1 3108/4885

“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.