SCHEMBL363941

SCHEMBL363941

CC(C)S(=O)(=O)c1ccccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CA9 Q16790 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA5A P35218 1/20 0.42
HTT P42858 1/20 0.41
METAP2 P50579 1/20 0.41
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
BCAT2 O15382 1/20 0.40

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
SCHEMBL3707076 0.83 CA1 (0.55) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL4611906 0.83 BCAT2 (0.41) IRAK4KDM4EALDH1A1TSHRCA9
SCHEMBL8607514 0.81 ALDH1A1 (0.42) KDM4EALDH1A1TSHRCA9CA1
SCHEMBL14443240 0.79 CA1 (0.65) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL1902646 0.79 IRAK4 (0.45) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL364343 0.79 BCAT2 (0.56) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL2998319 0.77 CA9 (0.45) IRAK4KDM4EALDH1A1KEAP1NFE2L2
Hydrochloric Acid SCHEMBL27374126 0.77 BCAT2 (0.54) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL10499129 0.76 KDM4E (0.50) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL1498169 0.76 KDM4E (0.50) IRAK4KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
EP-3349761-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-26 EP disclosed
EP-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 EP disclosed
CN-104837843-A Imidazopyridazine derivatives as GABAA receptor modulators PFIZER 2015-08-12 CN disclosed
EP-2593427-A1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2013-05-22 EP disclosed
WO-2012007883-A1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2012-01-19 WO disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 EP disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 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 (2 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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB IRAK4 3032/4885KDM4E 1848/4885ALDH1A1 2571/4885
US-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A IRAK4 2696/4885KDM4E 3006/4885ALDH1A1 643/4885

“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.