SCHEMBL8404334

SCHEMBL8404334

CC(C)(C)S(=O)(=O)NCCO

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP2C19 P33261 2/20 0.33
EPHX1 P07099 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30

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
SCHEMBL1051785 0.86 EPHX1 (0.39) ALDH1A1EPHX1GAAPKM
SCHEMBL8404338 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8404337 0.79 TSHR (0.39) ALDH1A1
SCHEMBL5169582 0.77 CA1 (0.55) EPHX1
SCHEMBL23613033 0.75 EPHX1 (0.33) EPHX1
SCHEMBL1051847 0.75 EPHX1 (0.33) EPHX1
SCHEMBL17147520 0.75 EPHX1 (0.38) EPHX1
SCHEMBL606519 0.75 EPHX1 (0.52) ALDH1A1CYP2C19EPHX1GAAPKM
SCHEMBL17771188 0.75 EPHX1 (0.33) EPHX1
SCHEMBL28569773 0.73 ALDH1A1 (0.33) ALDH1A1CYP2C19EPHX1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
WO-2022268230-A1 COMPOUND AS KIF18A INHIBITOR 杭州英创医药科技有限公司 2022-12-29 WO disclosed
US-10487068-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2019-11-26 US disclosed
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-08-09 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-9862678-B2 3,4-diaminobenzenesulfonamide derivatives for inhibiting cell death VIB VZW (BE) 2018-01-09 US disclosed
US-20170313653-A1 3,4-DIAMINOBENZENESULFONAMIDE DERIVATIVES FOR INHIBITING CELL DEATH VIB VZW (BE) 2017-11-02 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20140227780-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-14 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US 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 (8 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 ALDH1A1 291/4885CYP2C19 2884/4885EPHX1 1782/4885
US-10487068-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA ALDH1A1 374/4885CYP2C19 1006/4885EPHX1 1296/4885
US-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 ALDH1A1 3981/4885CYP2C19 64/4885EPHX1 2751/4885
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA ALDH1A1 374/4885CYP2C19 1006/4885EPHX1 1296/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ALDH1A1 1943/4885CYP2C19 3379/4885EPHX1 3884/4885
US-20170313653-A1 3,4-DIAMINOBENZENESULFONAMIDE DERIVATIVES FOR INHIBITING CELL DEATH CASP3, BAX, TMBIM6 ALDH1A1 1782/4885CYP2C19 4013/4885EPHX1 3740/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 ALDH1A1 291/4885CYP2C19 2884/4885EPHX1 1782/4885
US-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS ALDH1A1 731/4885CYP2C19 114/4885EPHX1 1123/4885

“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.