SCHEMBL3105631

SCHEMBL3105631

CC(C)S(=O)(=O)CCCO

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.39
CA2 P00918 3/20 0.34
GRIA1 P42261 3/20 0.31
ALDH1A1 P00352 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
SCHEMBL3117983 0.92 CA2 (0.38) ATRCA2GRIA1ALDH1A1
SCHEMBL7352870 0.90 CA2 (0.41) ATRCA2GRIA1ALDH1A1
SCHEMBL3116195 0.83
SCHEMBL14814727 0.78 ATR (0.40) ATRCA2ALDH1A1
SCHEMBL13588751 0.78 GRIA1 (0.33) ATRGRIA1
SCHEMBL28122906 0.77 ATR (0.39) ATRCA2
SCHEMBL16473919 0.76 GRIA1 (0.33) CA2GRIA1
SCHEMBL3105628 0.76 CA2 (0.35) CA2GRIA1
SCHEMBL2305626 0.76 CA2 (0.50) CA2GRIA1ALDH1A1
1,4-Butanediol SCHEMBL7623431 0.75 GRIA1 (0.40) ATRCA2GRIA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
EP-3524599-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2019-08-14 EP disclosed
US-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2018-12-06 US disclosed
EP-3199533-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2017-08-02 EP disclosed
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
US-9040516-B2 Uracil derivative and use thereof for medical purposes SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-05-26 US disclosed
EP-2784074-A1 PYRAZOLE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco, Inc. (JP) 2014-10-01 EP disclosed
US-8846746-B2 Pyrazole compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-09-30 US disclosed
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-06-26 US disclosed
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-04-04 US disclosed
US-8222417-B2 Compound having 11β-HSD1 inhibitory activity TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-07-17 US disclosed
US-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
EP-2172453-A1 COMPOUND HAVING 11 ß-HSD1 INHIBITORY ACTIVITY Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-07 EP disclosed
EP-1694674-A2 SULFONE SUBSTITUTED IMIDAZO RING ETHERS 3M Innovative Properties Company (US) 2006-08-30 EP disclosed
WO-2005076783-A2 SULFONE SUBSTITUTED IMIDAZO RING ETHERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-08-25 WO disclosed
US-4299834-A INOTROPIC ACTIVITY BOEHRINGER INGELHEIM GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-11-10 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 (7 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-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY HSD11B1, CYP4A11, HSD11B2 ATR 4439/4885CA2 571/4885GRIA1 130/4885
US-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ATR 3461/4885CA2 1930/4885GRIA1 3054/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ATR 3461/4885CA2 1930/4885GRIA1 3054/4885
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 ATR 4635/4885CA2 896/4885GRIA1 936/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ATR 3461/4885CA2 1930/4885GRIA1 3054/4885
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 ATR 4635/4885CA2 896/4885GRIA1 936/4885
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES URB2, ELANE, NUDT1 ATR 2840/4885CA2 2971/4885GRIA1 2288/4885

“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.