SCHEMBL1126532

SCHEMBL1126532

CS(=O)(=O)OCc1ccc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
MCHR1 Q99705 11/20 0.36
MBOAT4 Q96T53 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33
APLNR P35414 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL30047078 1.00 GBA1 (0.40) GBA1MCHR1MBOAT4KDM4EALDH1A1
SCHEMBL4056065 0.83 GBA1 (0.38) GBA1MCHR1MBOAT4KDM4EALDH1A1
SCHEMBL12661548 0.81 SYK (0.39) KDM4EALDH1A1
SCHEMBL506719 0.79 HTR2A (0.39) MCHR1MBOAT4APLNR
SCHEMBL15986833 0.79 CYP1A2 (0.32)
SCHEMBL1001775 0.79 PTGS1 (0.37) MCHR1MBOAT4KDM4EALDH1A1GRM2
SCHEMBL23977388 0.79 ALDH1A1 (0.40) KDM4EALDH1A1
SCHEMBL18326358 0.78 APLNR (0.40) MCHR1MBOAT4APLNR
SCHEMBL19539397 0.78 MMP2 (0.35) KDM4EALDH1A1
SCHEMBL16180689 0.77 GBA1 (0.41) GBA1MBOAT4KDM4EALDH1A1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-11-14 US disclosed
EP-3555080-B1 OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2023-09-20 EP disclosed
US-20230091768-A1 PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-03-23 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20090124578-A1 SPIRO-OXAZOLIDINONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-05-14 US disclosed
US-20090124578-A1 SPIRO-OXAZOLIDINONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-05-14 US disclosed
US-20090124578-A1 SPIRO-OXAZOLIDINONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-05-14 US disclosed
US-7485722-B2 Spiro-oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-02-03 US disclosed
US-7485722-B2 Spiro-oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-02-03 US disclosed
US-7485722-B2 Spiro-oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-02-03 US disclosed
US-20080125431-A1 Spiro-oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA (SE) 2008-05-29 US disclosed
US-20080125431-A1 Spiro-oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA (SE) 2008-05-29 US disclosed
US-20080125431-A1 Spiro-oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA (SE) 2008-05-29 US disclosed
WO-2008032191-A2 SPIRO-OXAZOLIDINONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (US) 2008-03-20 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 (7 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-20090124578-A1 SPIRO-OXAZOLIDINONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS GRM1, GRIN1, GRM2 GBA1 2434/4885MCHR1 557/4885MBOAT4 1101/4885
US-20230091768-A1 PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS F11, F2, KLKB1 GBA1 3204/4885MCHR1 4642/4885MBOAT4 4650/4885
US-20080125431-A1 Spiro-oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM2 GBA1 2434/4885MCHR1 557/4885MBOAT4 1101/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 GBA1 3463/4885MCHR1 201/4885MBOAT4 2619/4885
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors F11, F2, KLKB1 GBA1 3204/4885MCHR1 4642/4885MBOAT4 4650/4885
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 GBA1 2959/4885MCHR1 2416/4885MBOAT4 4078/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 GBA1 3463/4885MCHR1 201/4885MBOAT4 2619/4885

“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.