SCHEMBL560804

SCHEMBL560804

CS(=O)(=O)N1CCC(CO)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
ALDH1A1 P00352 5/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL31685062 0.88 CYP3A4 (0.45) TP53ALDH1A1ATMNPSR1TSHR
SCHEMBL1565868 0.88 NPSR1 (0.40) TP53ALDH1A1ATMNPSR1TSHR
SCHEMBL24010106 0.83 ALDH1A1 (0.38) TP53ALDH1A1ATMNPSR1TSHR
SCHEMBL5136704 0.81 HTT (0.57) TP53ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL3699221 0.80 ALDH1A1 (0.51) TP53ALDH1A1ATMNPSR1TSHR
SCHEMBL5517671 0.80 TP53 (0.46) TP53ALDH1A1ATMNPSR1TSHR
SCHEMBL9921218 0.80 TP53 (0.50) TP53ALDH1A1ATMNPSR1TSHR
SCHEMBL19122872 0.78 CYP3A4 (0.41) ALDH1A1NPSR1TSHRL3MBTL1MEN1
SCHEMBL24827061 0.78 TP53 (0.48) TP53ALDH1A1ATMNPSR1TSHR
SCHEMBL21696313 0.78 TP53 (0.44) TP53ALDH1A1ATMNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 CN claimed
WO-2025051216-A1 CYP11A1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 深圳众格生物科技有限公司 2025-03-13 WO disclosed
WO-2025021182-A1 CYP11A1 INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2025-01-30 WO disclosed
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2024-11-21 US disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 EP disclosed
CN-117083279-A Oxazepine compounds and their use in the treatment of cancer 基因泰克公司 2023-11-17 CN disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
CN-115551831-A CYP11A1 inhibitor 奥赖恩公司 2022-12-30 CN disclosed
WO-2022269134-A1 PROCESS FOR THE PREPARATION OF A CYP11A1 INHIBITOR AND INTERMEDIATES THEREOF ORION CORPORATION (FI) 2022-12-29 WO disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 WO disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
US-6770666-B2 A THERAPEUTIC AGENT FOR TREATING HEPATITIS C, BASED ON POLYMERASE INHIBITORY ACTIVITY JAPAN TOBACCO INC. (JP) 2004-08-03 US disclosed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US disclosed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP disclosed
US-6319920-B1 MUSCARINIC RECEPTOR ANTAGONIST USED IN GASTROINTESTINAL, GENITOURINARY TRACT, RESPIRATORY TRACT, CARDIOVASCULAR SYSTEM, CENTRAL NERVOUS SYSTEM DISORDERS AND IN ANESTHESIOLOGY AND OPHTHALMOLOGY SYNTEX (U.S.A.) LLC 2001-11-20 US disclosed
EP-1058680-A1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-12-13 EP disclosed
WO-1999043657-A1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1999-09-02 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 (5 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C TP53 89/4885ALDH1A1 1133/4885ATM 4851/4885
US-20230192677-A1 CYP11A1 INHIBITORS CYP11B1, CYP11B2, CYP17A1 TP53 1735/4885ALDH1A1 176/4885ATM 3772/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C TP53 166/4885ALDH1A1 463/4885ATM 4865/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 TP53 358/4885ALDH1A1 144/4885ATM 4833/4885
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER OXA1L, GRIK4, GRIK5 TP53 362/4885ALDH1A1 633/4885ATM 4105/4885

“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.