SCHEMBL398730

SCHEMBL398730

CS(=O)(=O)OCc1ncccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HKDC1 Q2TB90 1/20 0.33
PADI1 Q9ULC6 1/20 0.33
PADI3 Q9ULW8 1/20 0.33
PADI4 Q9UM07 1/20 0.33
PADI2 Q9Y2J8 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CKS1B P61024 1/20 0.33
SKP2 Q13309 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GRM4 Q14833 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
COMT P21964 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29587068 1.00 AKT1 (0.34) AKT1CYP1A2CYP3A4CYP2D6HKDC1
SCHEMBL16515478 0.81 GABRA1 (0.38) AKT1CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL15164061 0.80 GPR84 (0.37) AKT1CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL15845985 0.77 NPC1 (0.40) CYP1A2CYP3A4HKDC1PADI1PADI3
SCHEMBL1804719 0.77 CYP11B1 (0.40) AKT1CYP1A2CYP3A4CYP2D6HKDC1
SCHEMBL24485233 0.75 SSTR4 (0.37) CYP1A2CYP2D6LMNAHSD17B10
SCHEMBL16395671 0.74 TDP1 (0.46) ALDH1A1SMN1; SMN2LMNAHPGDHSD17B10
SCHEMBL24107663 0.73 ALDH1A1 (0.44) CYP1A2CYP3A4ALDH1A1SMN1; SMN2GRM4
SCHEMBL31497662 0.73 PLCG1 (0.35) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL5547619 0.72 SMN1; SMN2 (0.34) CYP1A2CYP3A4ALDH1A1SMN1; SMN2GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552767-B2 3-heteroaryl pyrrolidine and piperidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2026-02-17 US disclosed
US-20240002359-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-01-04 US disclosed
EP-4255429-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-10-11 EP disclosed
US-20230242551-A1 ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-08-03 US disclosed
WO-2022119888-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-09 WO disclosed
EP-2043646-B1 (E)-N-{3-(8-Chloro-11H-10-oxa-1-aza- dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-phenyl} -methanesulfonamide as a GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE LILLY CO ELI (US) 2012-05-16 EP disclosed
US-8101760-B2 Glucocorticoid receptor modulator and methods of use ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-8101760-B2 Glucocorticoid receptor modulator and methods of use ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 US disclosed
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 US disclosed
CN-101489556-A Glucocorticoid receptor modulators and methods of use LILLY CO ELI (US) 2009-07-22 CN disclosed
EP-2043646-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2009-04-08 EP disclosed
WO-2008008882-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2008-01-17 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 (4 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-12552767-B2 3-heteroaryl pyrrolidine and piperidine orexin receptor agonists HCRTR2, HCRTR1, NPY1R AKT1 3509/4885CYP1A2 1180/4885CYP3A4 1672/4885
US-20230242551-A1 ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF SLCO1B1, SLCO1B3, SLCO2B1 AKT1 946/4885CYP1A2 116/4885CYP3A4 35/4885
US-20240002359-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR AKT1 2950/4885CYP1A2 1803/4885CYP3A4 3153/4885
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE NR3C1, NR3C2, MC2R AKT1 1846/4885CYP1A2 1206/4885CYP3A4 880/4885

“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.