Sugi Predict

Sugi Predict / Compounds / SCHEMBL3120746

SCHEMBL3120746

SCHEMBL3120746

CCCCS(=O)(=O)CCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CA2 P00918 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ S1PR2 O95136 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ HTT P42858 1/20 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
SCHEMBL14814061 0.92 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL3112283 0.92 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
Propanol SCHEMBL8778756 0.92 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL11082880 0.90 CA2 (0.56) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL14814354 0.90 CA2 (0.56) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL11449323 0.90 CA2 (0.56) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL3105101 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL3112263 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
Alcohol SCHEMBL8778843 0.89 CA2 (0.46) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL4613454 0.86 CA2 (0.39) ALDH1A1SMN1; SMN2TSHRCA2

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
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-9023855-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 — — 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-20140179714-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-26 — — US disclosed
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-04-04 — — US disclosed
US-20130065913-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-14 — — 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

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-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY HSD11B1, CYP4A11, HSD11B2 ALDH1A1 289/4885SMN1; SMN2 3948/4885LMNA 4190/4885
US-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A1 1200/4885SMN1; SMN2 4079/4885LMNA 4349/4885
US-20130065913-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO ALDH1A1 1415/4885SMN1; SMN2 2896/4885LMNA 3161/4885
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-20140179714-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO ALDH1A1 1414/4885SMN1; SMN2 2904/4885LMNA 3163/4885
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.