Sugi Predict

Sugi Predict / Compounds / SCHEMBL646928

SCHEMBL646928

SCHEMBL646928

CS(=O)(=O)c1cccc(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ENPP2 Q13822 1/20 0.47
▸ DRD2 P14416 2/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GRM2 Q14416 2/20 0.44
▸ GRM3 Q14832 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ ADRA1D P25100 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ LOX P28300 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ GLS O94925 1/20 0.40

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
SCHEMBL31701736 0.85 ENPP2 (0.44) ALDH1A1GAAHSD17B10ENPP2DRD2
SCHEMBL3997064 0.85 GRM2 (0.48) ALDH1A1GAAHSD17B10DRD2SMN1; SMN2
SCHEMBL23665698 0.85 ENPP2 (0.44) ALDH1A1GAAHSD17B10ENPP2DRD2
SCHEMBL31192532 0.82 PSIP1 (0.52) ALDH1A1GAAENPP2IKBKBNPC1
SCHEMBL19277486 0.82 PSIP1 (0.52) ALDH1A1GAAENPP2IKBKBNPC1
SCHEMBL23665769 0.82 ENPP2 (0.46) ALDH1A1GAAHSD17B10ENPP2IKBKB
SCHEMBL5662465 0.82 TBXA2R (0.49) ALDH1A1GAAHSD17B10DRD2SMN1; SMN2
SCHEMBL7054313 0.82 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10DRD2SMN1; SMN2
SCHEMBL10586812 0.82 TSHR (0.53) ALDH1A1HSD17B10ENPP2IKBKBSMN1; SMN2
SCHEMBL8233359 0.82 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10DRD2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101675053-B Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH INC 2014-03-12 — — CN claimed
CN-101675053-A Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH INC 2010-03-17 — — CN claimed
CN-118684605-A Preparation of ritgasan Process for the preparation of intermediates 山东新时代药业有限公司 2024-09-24 — — CN disclosed
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 — — CN disclosed
CN-110753690-B Pyridine derivatives 豪夫迈·罗氏有限公司 2023-12-05 — — CN disclosed
CN-117043163-A Pyrrolopyrimidine or pyrrolopyridine derivative and medical application thereof 希格生科（深圳）有限公司 2023-11-10 — — CN disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 — — US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 — — US disclosed
EP-3642200-B1 PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-03 — — EP disclosed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 — — US disclosed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 — — US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 — — US disclosed
US-20020061853-A1 Caspase inhibtors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-05-23 — — US disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 — — EP disclosed
WO-2001090070-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-11-29 — — WO disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 — — WO disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 — — WO disclosed
CN-1268116-A 3-amidinoaniline derivatives activated blood coagulation factor X inhibitors, and intermediates for producing both KISSEI PHARMACEUTICAL (JP) 2000-09-27 — — CN disclosed
EP-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 — — EP disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 — — 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 (3 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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ALDH1A1 585/4885GAA 125/4885HSD17B10 62/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 ALDH1A1 616/4885GAA 3547/4885HSD17B10 3096/4885
US-20020061853-A1 Caspase inhibtors and uses thereof CASP2, CASP1, CASP3 ALDH1A1 1328/4885GAA 2194/4885HSD17B10 376/4885

“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.