SCHEMBL1533859

SCHEMBL1533859

CC(=O)OCCS(=O)(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
TSHR P16473 1/20 0.43
CA2 P00918 3/20 0.42
GALR3 O60755 2/20 0.41

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
SCHEMBL20190329 0.87 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL2550445 0.86 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL1622071 0.85 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL19784557 0.83 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL19784711 0.81 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL5711986 0.80 ALDH1A1 (0.48) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL21835889 0.79 THRB (0.50) ALDH1A1TSHRCA2HTTCA1
SCHEMBL10669272 0.78 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL47547 0.78 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL14079443 0.77 ALDH1A1 (0.41) ALDH1A1CHRM5CHRM1CHRM3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025081019-A1 KIF MODULATOR COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2025-04-17 WO disclosed
WO-2023217232-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed
US-20230159477-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS GEISTLICH PHARMA AG (CH) 2023-05-25 US disclosed
US-20230159477-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS GEISTLICH PHARMA AG (CH) 2023-05-25 US disclosed
WO-2022222856-A1 BENZO-CONDENSED RING COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR AND USE THEREOF 勤浩医药(苏州)有限公司 2022-10-27 WO disclosed
EP-4011871-A2 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS Geistlich Pharma AG (CH) 2022-06-15 EP disclosed
EP-3233813-B1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS GEISTLICH PHARMA AG (CH) 2022-02-02 EP disclosed
US-20210163432-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS GEISTLICH PHARMA AG (CH) 2021-06-03 US disclosed
US-10968190-B2 Processes for preparing oxathiazin-like compounds GEISTLICH PHARMA AG (CH) 2021-04-06 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 WO disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 WO disclosed
EP-0906279-B1 PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-6136844-A ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASE SYNTEX (U.S.A.) INC. (US) 2000-10-24 US disclosed
US-6127402-A AN INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE AND ARE ANTI-INFLAMMATORY AND ANALGESIC AGENTS SYNTEX (U.S.A.) INC. (US) 2000-10-03 US disclosed
US-5952368-A AN INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE, ANTIINFLAMMATORY AND ANALGESIC AGENTS SYNTEX (U.S.A.) INC. (US) 1999-09-14 US disclosed
EP-0906279-A1 NOVEL PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP disclosed
WO-1997046524-A1 NOVEL PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-12-11 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 ALDH1A1 503/4885CHRM5 1397/4885CHRM1 802/4885
US-20230159477-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS OXA1L, MAPT, OTC ALDH1A1 3427/4885CHRM5 3316/4885CHRM1 3565/4885
US-10968190-B2 Processes for preparing oxathiazin-like compounds DCXR, SORD, ADH1C ALDH1A1 1291/4885CHRM5 2076/4885CHRM1 3252/4885
US-20210163432-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS OXA1L, MAPT, OTC ALDH1A1 3427/4885CHRM5 3316/4885CHRM1 3565/4885

“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.