Sugi Predict

Sugi Predict / Compounds / SCHEMBL846595

SCHEMBL846595

SCHEMBL846595

CN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.51
▸ NPC1 O15118 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ NOTUM Q6P988 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ SRD5A2 P31213 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL14715354 0.95 PAX8 (0.54) PAX8NPC1MEN1KMT2APOLB
SCHEMBL8018111 0.89 PAX8 (0.55) PAX8NPC1MEN1KMT2ANOTUM
SCHEMBL17122860 0.87 PAX8 (0.46) PAX8NPC1MEN1KMT2ANOTUM
SCHEMBL23407754 0.86 RAB9A (0.54) PAX8NPC1MEN1KMT2APOLB
SCHEMBL12268059 0.85 PAX8 (0.47) PAX8NPC1MEN1KMT2ANOTUM
SCHEMBL16670002 0.85 KDM4E (0.46) PAX8NPC1MEN1KMT2APOLB
SCHEMBL3256088 0.84 MAPT (0.44) PAX8NPC1MEN1KMT2APOLB
SCHEMBL7200107 0.84 RAB9A (0.57) PAX8NPC1MEN1KMT2APOLB
SCHEMBL17713232 0.83 NOTUM (0.65) PAX8NPC1MEN1KMT2ANOTUM
SCHEMBL3364970 0.82 PAX8 (0.50) PAX8MEN1KMT2ANOTUMSMN1; 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025086591-A1 ROTIGOTINE PRODRUG DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 烟台药物研究所 2025-05-01 — — WO disclosed
CN-117105906-B Rotigotine prodrug derivatives, pharmaceutical compositions and uses thereof 烟台药物研究所 2024-01-30 — — CN disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 — — US disclosed
US-20170015645-A1 SUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2017-01-19 — — US disclosed
US-20170015645-A1 SUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2017-01-19 — — US disclosed
US-9458124-B2 Substituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2016-10-04 — — US disclosed
US-9458124-B2 Substituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2016-10-04 — — US disclosed
EP-2300481-B1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME (US) 2015-09-30 — — EP disclosed
US-20140309427-A1 Substituted Pyran Derivatives NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-16 — — US disclosed
US-20140309427-A1 Substituted Pyran Derivatives NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-16 — — US disclosed
WO-2009146343-A1 NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES MERCK & CO., INC. (US) 2009-12-03 — — WO disclosed
WO-2009146343-A1 NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES MERCK & CO., INC. (US) 2009-12-03 — — WO disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 — — US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 — — US disclosed
WO-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 — — WO disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 — — US disclosed
EP-1250332-A1 INHIBITORS OF INTERLEUKIN 5 GENE EXPRESSION Abbott Laboratories (US) 2002-10-23 — — EP disclosed
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 — — US disclosed
WO-2001044223-A1 INHIBITORS OF INTERLEUKIN 5 GENE EXPRESSION ABBOTT LABORATORIES (US) 2001-06-21 — — WO disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 — — 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 (5 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-20170015645-A1 SUBSTITUTED PYRAN DERIVATIVES SLC18A2, SLC6A4, SLC6A3 PAX8 3695/4885NPC1 484/4885MEN1 2037/4885
US-20140309427-A1 Substituted Pyran Derivatives SLC18A2, SLC6A4, SLC6A3 PAX8 3695/4885NPC1 484/4885MEN1 2037/4885
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 PAX8 4743/4885NPC1 1353/4885MEN1 4724/4885
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 PAX8 2516/4885NPC1 1518/4885MEN1 4610/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 PAX8 2516/4885NPC1 1518/4885MEN1 4610/4885

“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.