SCHEMBL918568

SCHEMBL918568

CC(C)[C@H]1COC(C(C)(C)C2=N[C@@H](C(C)C)CO2)=N1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22661725 1.00 NPC1 (0.43) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL918791 1.00 NPC1 (0.43) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL29549533 1.00 NPC1 (0.43) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL1685684 1.00 NPC1 (0.43) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL30403231 0.98 NPC1 (0.42) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL29001613 0.98 NPC1 (0.42) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL19765232 0.88 NPC1 (0.43) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL27932371 0.88 NPC1 (0.43) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL12116904 0.80 NPC1 (0.38) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL20500207 0.79 NPC1 (0.40) NPC1MEN1KMT2AMAPTRAB9A

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-6596898-B2 Making a 2-fluoro-2-chlorocyclopropanecarboxylic acid derivative stereoselectively in high yield by reacting a diazoacetic acid derivative with 1-fluoro-1-chloroethylene using metal catalyst having chiral ligands DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US claimed
US-20240376257-A1 POLY(GLYCOLIC ACID) FOR CONTAINERS AND FILMS WITH REDUCED GAS PERMEABILITY DAK AMERICAS LLC (US) 2024-11-14 US disclosed
WO-2022036040-A1 SYNTHESIS OF SMALL MOLECULES INSPIRED BY PHOMOXANTHONE A WORCESTER POLYTECHNIC INSTITUTE (US) 2022-02-17 WO disclosed
US-20220048879-A1 Synthesis of small molecules inspired by Phomoxanthone A WORCESTER POLYTECHNIC INSTITUTE 2022-02-17 US disclosed
US-11046649-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-29 US disclosed
EP-3823604-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN DIOXYGENASE Board of Regents, The University of Texas System (US) 2021-05-26 EP disclosed
WO-2020018670-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN DIOXYGENASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-01-23 WO disclosed
US-8969585-B2 Method for producing optically active compound or salt thereof NAGASAKI UNIVERSITY (JP) 2015-03-03 US disclosed
US-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF NAGASAKI UNIVERSITY (JP) 2014-01-09 US disclosed
US-8252919-B2 2′-hydroxy-protected ribonucleoside derivative and production method thereof KANEKA CORPORATION (JP) 2012-08-28 US disclosed
US-20110009609-A1 2'-HYDROXY-PROTECTED RIBONUCLEOSIDE DERIVATIVE AND PRODUCTION METHOD THEREOF KANEKA CORPORATION (JP) 2011-01-13 US disclosed
EP-2258709-A1 2'-HYDROXYL-PROTECTED RIBONUCLEOSIDE DERIVATIVE AND MANUFACTURING METHOD OF SAME Kaneka Corporation (JP) 2010-12-08 EP disclosed
US-6596898-B2 Making a 2-fluoro-2-chlorocyclopropanecarboxylic acid derivative stereoselectively in high yield by reacting a diazoacetic acid derivative with 1-fluoro-1-chloroethylene using metal catalyst having chiral ligands DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed
US-20010051750-A1 PROCESS FOR PREPARING HALOGENATED CYCLOPROPANE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-0858992-B1 PROCESS FOR PRODUCING HALOGENATED CYCLOPROPANE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2001-12-12 EP disclosed
EP-0858992-A1 PROCESS FOR PRODUCING HALOGENATED CYCLOPROPANE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 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-20110009609-A1 2'-HYDROXY-PROTECTED RIBONUCLEOSIDE DERIVATIVE AND PRODUCTION METHOD THEREOF RNASEL, RNASEH1, NUDT1 NPC1 1978/4885MEN1 3696/4885KMT2A 721/4885
US-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF MINK1, MELK, MRPL21 NPC1 3407/4885MEN1 812/4885KMT2A 1867/4885
US-20010051750-A1 PROCESS FOR PREPARING HALOGENATED CYCLOPROPANE DERIVATIVES CYP2F1, CYP4F2, CYP4F8 NPC1 342/4885MEN1 2065/4885KMT2A 1552/4885
US-11046649-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase IDO1, IDO2, TDO2 NPC1 3065/4885MEN1 2563/4885KMT2A 743/4885
US-20220048879-A1 Synthesis of small molecules inspired by Phomoxanthone A ERG28, SQLE, PHKA1 NPC1 4064/4885MEN1 1048/4885KMT2A 1221/4885

“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.