Sugi Predict

Sugi Predict / Compounds / SCHEMBL2590708

SCHEMBL2590708

SCHEMBL2590708

Cc1cc(C(=O)O)ccc1S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ ESR1 P03372 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MYC P01106 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GRM1 Q13255 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ NSD2 O96028 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL27890841 0.98 L3MBTL1 (0.52) L3MBTL1ALDH1A1SMN1; SMN2ESR1TSHR
SCHEMBL11809330 0.85 ALDH1A1 (0.62) L3MBTL1ALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL6293695 0.85 SMN1; SMN2 (0.59) L3MBTL1SMN1; SMN2ESR1TSHRHSD17B10
SCHEMBL31401059 0.85 SMN1; SMN2 (0.59) L3MBTL1SMN1; SMN2ESR1TSHRHSD17B10
SCHEMBL14101003 0.85 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1SMN1; SMN2ESR1TSHR
SCHEMBL5405584 0.84 CDC25B (0.53) L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL10177915 0.83 L3MBTL1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL27589469 0.83 SMN1; SMN2 (0.46) L3MBTL1ALDH1A1SMN1; SMN2ESR1TSHR
SCHEMBL1050351 0.83 PKM (0.58) L3MBTL1ALDH1A1SMN1; SMN2ESR1TSHR
SCHEMBL11893905 0.83 SMN1; SMN2 (0.46) L3MBTL1ALDH1A1SMN1; SMN2ESR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104151232-A Method for preparing etocoxib BEIJING VENTUREPHARM BIOTECH CORP 2014-11-19 — — CN claimed
CN-102898357-A Novel process for the preparation of 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib. ITALIANA SINT SPA 2013-01-30 — — CN claimed
CN-114206335-B KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2025-03-11 — — CN disclosed
EP-4446314-A2 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2024-10-16 — — EP disclosed
EP-3962479-B1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2024-07-24 — — EP disclosed
US-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-09-08 — — US disclosed
CN-114206335-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-03-18 — — CN disclosed
EP-3962479-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 — — EP disclosed
WO-2020227097-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 — — WO disclosed
WO-2020227097-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 — — WO disclosed
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 — — US disclosed
US-8029951-B2 Colored curable composition, color filter and production method thereof FUJIFILM CORPORATION (JP) 2011-10-04 — — US disclosed
CN-101668743-A glucokinase activating substance KYORIN SEIYAKU KK 2010-03-10 — — CN disclosed
CN-101412692-A 1-(3-amino propyl) piperidine-4-aminoamide compounds, and pharmaceutical composition, preparation and use thereof SHANGHAI INST MATERIA MEDICA (CN) 2009-04-22 — — CN disclosed
CN-100398535-C Piperidine derivatives and their use as modulators of chemokine receptor (especially CCR5) activity ASTRAZENECA AB (SE) 2008-07-02 — — CN disclosed
US-20080081268-A1 COLORED CURABLE COMPOSITION, COLOR FILTER AND PRODUCTION METHOD THEREOF FUJIFILM CORPORATION (JP) 2008-04-03 — — US disclosed
CN-1329386-C Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE CO LTD (CH) 2007-08-01 — — CN disclosed
CN-1678594-A Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LTD (GB) 2005-10-05 — — CN disclosed
CN-1649859-A Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE (CH) 2005-08-03 — — CN disclosed
CN-1585763-A Piperidine derivatives and their use as modulators of chemokine receptor activity especially CCR5 ASTRAZENECA AB (SE) 2005-02-23 — — CN 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 (2 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-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 L3MBTL1 656/4885ALDH1A1 2052/4885SMN1; SMN2 423/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 L3MBTL1 4750/4885ALDH1A1 1764/4885SMN1; SMN2 1515/4885

“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.