Sugi Predict

Sugi Predict / Compounds / SCHEMBL3112263

SCHEMBL3112263

SCHEMBL3112263

CCCS(=O)(=O)CCCO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CA2 P00918 2/20 0.38
▸ CES1 P23141 5/20 0.35
▸ FAAH O00519 4/20 0.35
▸ CES2 O00748 2/20 0.35
▸ ATR Q13535 1/20 0.35

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
SCHEMBL3110621 0.92 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL7297594 0.90 LMNA (0.48) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL3120746 0.90 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL14814061 0.87 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
Propanol SCHEMBL8778736 0.86 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL4613454 0.86 CA2 (0.39) ALDH1A1SMN1; SMN2TSHRCA2ATR
SCHEMBL3168818 0.86 CA2 (0.39) ALDH1A1SMN1; SMN2TSHRCA2ATR
SCHEMBL11082880 0.85 CA2 (0.56) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL11449323 0.85 CA2 (0.56) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL14814354 0.85 CA2 (0.56) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1

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 16 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
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-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS KANG, XINSHAN (CN) 2016-07-14 — — US disclosed
EP-2435416-B1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME (US) 2016-03-30 — — EP disclosed
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 — — 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-8664411-B2 Tetrahydropyranochromene gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-04 — — 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
CN-102216079-A Positive-working imageable elements and methods of use EASTMAN KODAK CO 2011-10-12 — — CN 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
WO-2009008980-A2 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2009-01-15 — — 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 (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 ALDH1A1 289/4885SMN1; SMN2 3948/4885LMNA 4190/4885
US-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS GPR119, GLP1R, INSR ALDH1A1 459/4885SMN1; SMN2 4275/4885LMNA 3627/4885
US-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A1 1200/4885SMN1; SMN2 4079/4885LMNA 4349/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A1 1200/4885SMN1; SMN2 4079/4885LMNA 4349/4885
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 ALDH1A1 676/4885SMN1; SMN2 4518/4885LMNA 4724/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A1 1200/4885SMN1; SMN2 4079/4885LMNA 4349/4885
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 ALDH1A1 676/4885SMN1; SMN2 4518/4885LMNA 4724/4885

“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.