SCHEMBL2319092

SCHEMBL2319092

O=C(O)c1c(-c2ccccc2)noc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
PTGS2 P35354 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 1/20 0.49
FFAR4 Q5NUL3 2/20 0.47
PTGS1 P23219 2/20 0.47
NPC1 O15118 1/20 0.45
GABRA5 P31644 5/20 0.45
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2926411 0.88 PTGS2 (0.51) ESR1ESR2PTGS2FFAR4GABRA5
SCHEMBL2321949 0.88 KMT2A (0.54) ESR1ESR2PTGS2KMT2AMEN1
SCHEMBL20507190 0.86 GPBAR1 (0.49) ESR1ESR2PTGS2FFAR4
SCHEMBL20507128 0.86 FFAR4 (0.48) ESR1ESR2PTGS2KMT2AMEN1
SCHEMBL2318265 0.84 ESR1 (0.50) ESR1ESR2PTGS2KMT2AMEN1
SCHEMBL20507157 0.83 FFAR4 (0.52) ESR1ESR2PTGS2FFAR4PTGS1
SCHEMBL27837002 0.81 ESR1 (0.41) ESR1ESR2PTGS2FFAR4GABRA5
SCHEMBL1225880 0.81 POLB (0.56) GAAPTGS1NPC1GABRA5POLB
SCHEMBL2565912 0.76 PTPN1 (0.58) KMT2AMEN1GAAPTGS1POLB
SCHEMBL2281353 0.76 PTGS1 (0.69) KMT2AMEN1GAAPTGS1POLB

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-7851469-B2 Isoxazole-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
CN-101889010-A Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE 2010-11-17 CN disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
EP-2170873-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-04-07 EP disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-01 US disclosed
WO-2009000662-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-31 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 (5 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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 ESR1 663/4885ESR2 881/4885PTGS2 3620/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ESR1 3267/4885ESR2 1701/4885PTGS2 1851/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 ESR1 3131/4885ESR2 2116/4885PTGS2 2019/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ESR1 3267/4885ESR2 1701/4885PTGS2 1851/4885
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES GABRA5, GABRA1, GABRA4 ESR1 721/4885ESR2 814/4885PTGS2 2317/4885

“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.