SCHEMBL709887

SCHEMBL709887

CS(=O)(=O)OCc1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 5/20 0.36
LMNA P02545 4/20 0.36
KDM4E B2RXH2 3/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
AKT1 P31749 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
AURKA O14965 1/20 0.32
DHFR P00374 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL18363120 0.78 APLNR (0.46) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL20919413 0.78 KDM4E (0.32) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL16692776 0.78 KDM4E (0.33) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL21087260 0.77 NPSR1 (0.43) CYP1A2CYP3A4CYP2D6ALDH1A1ALOX15
SCHEMBL614573 0.76 LMNA (0.50) CYP1A2ALDH1A1LMNAKDM4ETSHR
SCHEMBL31539875 0.76 LMNA (0.50) CYP1A2ALDH1A1LMNAKDM4ETSHR
SCHEMBL4049830 0.75 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ETSHRALOX15
SCHEMBL1228806 0.75 FFAR1 (0.41) CYP1A2CYP3A4CYP2D6AKT1KMT2A
SCHEMBL16515478 0.74 GABRA1 (0.38) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL31663320 0.73 DHODH (0.36) CYP1A2CYP3A4CYP2D6AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340543-A1 GPR84 ANTAGONISTS AND USES THEREOF LIMINAL BIOSCIENCES LTD (GB) 2025-11-06 US disclosed
US-12378229-B2 GPR84 antagonists and uses thereof Liminal Biosciences Limited (GB) 2025-08-05 US disclosed
WO-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 WO disclosed
WO-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed
US-20240066027-A1 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2024-02-29 US disclosed
EP-4288430-A1 GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2023-12-13 EP disclosed
CN-116888116-A GPR84 antagonists and uses thereof 里米诺生物科学有限公司 2023-10-13 CN disclosed
EP-4255904-A2 NOVEL PAR-2 INHIBITORS Domain Therapeutics (FR) 2023-10-11 EP disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
EP-2142555-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
US-7625891-B2 Heterocylic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 WO disclosed
EP-2013174-A2 DIARYL SUBSTITUTED ALKANES Merck & Co., Inc. (US) 2009-01-14 EP disclosed
WO-2008119663-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 WO disclosed
US-20080249087-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-10-09 US disclosed
WO-2007120574-A2 DIARYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2007-10-25 WO disclosed
WO-2007120574-A2 DIARYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2007-10-25 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 (6 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-20230192677-A1 CYP11A1 INHIBITORS CYP11B1, CYP11B2, CYP17A1 CYP1A2 34/4885CYP3A4 61/4885CYP2D6 67/4885
US-12378229-B2 GPR84 antagonists and uses thereof GPR84, GPR88, GPR65 CYP1A2 2157/4885CYP3A4 1841/4885CYP2D6 2858/4885
US-20080249087-A1 Heterocylic antiviral compounds CCR5, CCR1, CXCR1 CYP1A2 389/4885CYP3A4 340/4885CYP2D6 1009/4885
US-20240066027-A1 NOVEL PAR-2 INHIBITORS F2RL1, F2R, F2RL3 CYP1A2 176/4885CYP3A4 872/4885CYP2D6 847/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 CYP1A2 301/4885CYP3A4 951/4885CYP2D6 616/4885
US-20250340543-A1 GPR84 ANTAGONISTS AND USES THEREOF GPR84, GPR88, GPR65 CYP1A2 2157/4885CYP3A4 1841/4885CYP2D6 2858/4885

“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.