SCHEMBL8778884

SCHEMBL8778884

CCOC(=O)C=C(C)C=CC=C(C)C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 2/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.36
PTGS1 P23219 2/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 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
SCHEMBL9666690 1.00 NPSR1 (0.43) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL11168141 1.00 NPSR1 (0.43) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL8778882 1.00 NPSR1 (0.43) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL10959675 1.00 NPSR1 (0.43) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL11854280 0.86 NPSR1 (0.46) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL11854274 0.86 NPSR1 (0.46) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL28108710 0.85 NPSR1 (0.42) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL22356378 0.85 ALDH1A1 (0.50) NPSR1MAPTKDM4EATMHCAR2
SCHEMBL10751339 0.84 ATM (0.51) NPSR1MAPTKDM4EATMHCAR2
SCHEMBL10752640 0.84 ATM (0.51) NPSR1MAPTKDM4EATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065399-B2 Arylsulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2024-08-20 US disclosed
EP-4013495-B1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2023-09-27 EP disclosed
EP-4013495-B1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2023-09-27 EP disclosed
EP-4013495-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. Hoffmann-La Roche AG (CH) 2022-06-22 EP disclosed
US-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
US-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
CN-114174266-A Arylsulfonamide derivatives as MGLUR4 negative allosteric modulators 豪夫迈·罗氏有限公司 2022-03-11 CN disclosed
WO-2021028512-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2021-02-18 WO disclosed
WO-2021028512-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2021-02-18 WO disclosed
EP-3305760-A1 METHOD FOR PRODUCING ALKYLAMINE DERIVATIVE AND PRODUCTION INTERMEDIATE OF ALKYLAMINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2018-04-11 EP disclosed
US-4187247-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 US disclosed
US-4169100-A FLUORO AND TRIFLUOROMETHYL SUBSTITUTED 9-(4-ALKOXY-2,3,6-TRIALKYLPHENYL)-2,4,6,8-NONATETRAENOIC ACIDS, ESTERS AND AMIDES, ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-09-25 US disclosed
US-4163103-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-07-31 US disclosed
US-4137246-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-01-30 US disclosed
US-4116975-A 9-THIENYL-3,7-DIMETHYLNONA-2,4,6,8-TETRAENES, ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1978-09-26 US disclosed
US-4107190-A ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1978-08-15 US disclosed
US-4105681-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed
US-4061656-A ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1977-12-06 US disclosed
US-4054589-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-10-18 US disclosed
US-3984440-A FOR NEOPLASIAS, DERMATOSES, INFLAMMATION AND ALLERGIES HOFFMANN-LA ROCHE INC. (US) 1976-10-05 US 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-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES ARSA, SULT1E1, STS NPSR1 223/4885MAPT 4426/4885KDM4E 539/4885
US-12065399-B2 Arylsulfonamide derivatives ARSA, SULT1E1, STS NPSR1 223/4885MAPT 4426/4885KDM4E 539/4885

“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.