SCHEMBL95810

SCHEMBL95810

[CH2]c1ccccc1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.40
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LOX P28300 1/20 0.37
PLCG1 P19174 1/20 0.37
HSD11B1 P28845 1/20 0.36
GAA P10253 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA12 O43570 1/20 0.34
CYP2C9 P11712 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL20448902 0.81 PLCG1 (0.34) BCAT2DRD2PLCG1GAACA1
SCHEMBL8106699 0.81 LOX (0.47) BCAT2DRD2ALDH1A1LMNATP53
SCHEMBL5545192 0.79 DRD2 (0.33) BCAT2DRD2ALDH1A1LMNATP53
SCHEMBL20507084 0.78 DRD1 (0.33) PLCG1GAACA1CA2CA4
SCHEMBL11148144 0.78 ADRA2A (0.38) BCAT2DRD2SMN1; SMN2HSD11B1PTGS2
SCHEMBL1855312 0.78 JAK2 (0.49) BCAT2ADRA1A
SCHEMBL2538620 0.76 PSIP1 (0.48) DRD2ALDH1A1LMNATP53HTT
SCHEMBL944099 0.75 BCAT2 (0.40) BCAT2DRD2ALDH1A1SMN1; SMN2LOX
SCHEMBL971098 0.75 CA2 (0.56) PLCG1GAACA1CA2CA4
SCHEMBL332245 0.75 TSHR (0.44) ALDH1A1SMN1; SMN2PLCG1GAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023185920-A1 FAK DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BERRYBIO (SHANGHAI) LIMITED (CN) 2023-10-05 WO claimed
CN-113200971-B Synthesis and application of indole oxadiazole derivative with aryl piperazine structure 济南大学 2022-06-28 CN claimed
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same HOFFMANN-LA ROCHE INC. (US) 2022-02-08 US claimed
CN-107580596-B Sulfimidoylpurine ketone compounds and derivatives for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2020-07-14 CN claimed
US-20200109144-A1 Sulfonimidoylpurinone Compounds HOFFMANN-LA ROCHE INC. (US) 2020-04-09 US claimed
EP-3294740-B1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-09-04 EP claimed
US-10399983-B2 Sulfonimidoylpurinone compounds HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US claimed
WO-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 WO claimed
EP-3294740-A1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2018-03-21 EP claimed
WO-2017223514-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2017-12-28 WO claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 WO claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US claimed
US-5543517-A VIRICIDES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-06 US claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US claimed
EP-0691961-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP claimed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP claimed
WO-1994022840-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO claimed
US-4512989-A IMIDOESTERS OR IMIDOTHIOESTERS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 1985-04-23 US claimed

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-20200109144-A1 Sulfonimidoylpurinone Compounds NQO1, UGT1A1, SULT1E1 BCAT2 3023/4885DRD2 3004/4885ALDH1A1 59/4885
US-10399983-B2 Sulfonimidoylpurinone compounds NQO1, UGT1A1, SULT1E1 BCAT2 3023/4885DRD2 3004/4885ALDH1A1 59/4885
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same STS, SULT1E1, SULT1A1 BCAT2 2093/4885DRD2 4474/4885ALDH1A1 122/4885

“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.