SCHEMBL97383

SCHEMBL97383

Cc1cc(F)cc(OC=O)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAPGEF4 Q8WZA2 2/20 0.31
ERN1 O75460 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL1190708 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16079851 0.84 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL2005178 0.84 CES2 (0.35) ERN1CYP4F2CYP4A11
SCHEMBL29640516 0.77 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL23457679 0.77 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL8804437 0.75 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL17898604 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL18623053 0.75 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL24445876 0.75 CA12 (0.48) MAPTERN1CYP4F2CYP4A11
SCHEMBL1256906 0.74 SOS1 (0.30)

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
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 EP disclosed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB ALDH1A1 2948/4885CYP3A4 3412/4885TSHR 3439/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885CYP3A4 953/4885TSHR 110/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885CYP3A4 953/4885TSHR 110/4885

“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.