SCHEMBL7965972

SCHEMBL7965972

Cc1cc(C)c(C(N)=O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.42
LIMK1 P53667 3/20 0.42
BTK Q06187 2/20 0.42
CHUK O15111 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
PLA2G10 O15496 2/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP1A2 P05177 1/20 0.35

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
SCHEMBL14507422 0.80 IKBKB (0.45) IKBKBLIMK1BTKCHUKPRKACA
SCHEMBL4211782 0.80 KDR (0.43) IKBKBLIMK1BTKCHUKPRKACA
SCHEMBL15943484 0.80 IKBKB (0.50) IKBKBLIMK1BTKCHUKPRKACA
SCHEMBL5104631 0.79 PKM (0.52) POLBHSD17B10MEN1KMT2AALOX15
SCHEMBL102004 0.79 ALDH1A1 (0.40) GAAPOLBMEN1KMT2AALOX15
SCHEMBL12917929 0.78 IKBKB (0.40) IKBKBLIMK1BTKCHUKPRKACA
SCHEMBL27398499 0.78 F10 (0.41) IKBKBLIMK1BTKCHUKPRKACA
SCHEMBL3057931 0.77 PKM (0.37) GAAHSD17B10MEN1KMT2AALOX15
SCHEMBL22066870 0.77 IKBKB (0.40) IKBKBLIMK1BTKCHUKPRKACA
SCHEMBL18719429 0.76 POLB (0.38) POLBHSD17B10MEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9044389-B2 Isoxazoline derivatives as pesticides NOVARTIS TIERGESUNDHEIT AG (CH) 2015-06-02 US disclosed
US-20140120147-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 2014-05-01 US disclosed
US-8653116-B2 Isoxazoline derivatives as pesticides NOVARTIS AG (CH) 2014-02-18 US disclosed
US-20130131053-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES NOVARTIS TIERGESUNDHEIT AG (CH) 2013-05-23 US disclosed
US-8383659-B2 Isoxazoline derivatives as pesticides NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20110245239-A1 ORGANIC COMPOUNDS ELANCO TIERGESUNDHEIT AG (CH) 2011-10-06 US disclosed
WO-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed
WO-1998042323-A1 STABILIZED UREASE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 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-20130131053-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES CYP3A7, ACHE, CYP4X1 IKBKB 2971/4885LIMK1 3968/4885BTK 408/4885
US-20140120147-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES CYP3A7, ACHE, CYP4X1 IKBKB 2971/4885LIMK1 3968/4885BTK 408/4885
US-20110245239-A1 ORGANIC COMPOUNDS ACHE, VDAC1, VDAC2 IKBKB 3497/4885LIMK1 3096/4885BTK 3055/4885

“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.