Sugi Predict

Sugi Predict / Compounds / SCHEMBL168732

SCHEMBL168732

SCHEMBL168732

CCOC(=O)[C@H]1CC[C@H](NNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ BTK Q06187 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PPM1B O75688 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PPP1CC P36873 1/20 0.37
▸ CTSL P07711 1/20 0.37

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
SCHEMBL168733 1.00 KMT2A (0.54) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL2579193 1.00 KMT2A (0.54) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL25978825 0.88 MEN1 (0.50) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL12692961 0.85 ALDH1A1 (0.56) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL572952 0.85 ALDH1A1 (0.56) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL1498337 0.85 ALDH1A1 (0.56) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL14564872 0.85 BTK (0.44) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL20074687 0.85 BTK (0.44) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL25987270 0.85 KDM4E (0.45) KMT2AALDH1A1MEN1TSHRGAA
SCHEMBL2074992 0.83 GAA (0.51) KMT2AMEN1BTKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 — — EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 — — EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 — — US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 — — US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 — — WO disclosed
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 — — EP disclosed
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 — — EP disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 — — US disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 — — US disclosed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 — — EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 — — WO disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 — — US disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 — — US disclosed
US-20110245223-A1 HETEROCYCLIC COMPOUNDS JAPAN TOBACCO INC. (JP) 2011-10-06 — — US disclosed
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND JAPAN TOBACCO INC. (JP) 2010-01-14 — — US disclosed
EP-2103603-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND Japan Tobacco Inc. (JP) 2009-09-23 — — EP disclosed
US-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE GRAUERT MATTHIAS 2009-04-09 — — US disclosed
EP-1889842-A1 HETEROCYCLIC COMPOUND Japan Tobacco, Inc. (JP) 2008-02-20 — — EP disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — US disclosed
US-20070072908-A1 Heterocyclic compounds JAPAN TOBACCO INC. (JP) 2007-03-29 — — US 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 (7 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-20110245223-A1 HETEROCYCLIC COMPOUNDS HSD11B1, HSD11B2, CYP11B1 KMT2A 1820/4885ALDH1A1 252/4885MEN1 935/4885
US-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA KMT2A 1635/4885ALDH1A1 923/4885MEN1 4091/4885
US-20070072908-A1 Heterocyclic compounds HSD11B1, HSD11B2, CYP11B1 KMT2A 1820/4885ALDH1A1 252/4885MEN1 935/4885
US-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 KMT2A 4521/4885ALDH1A1 162/4885MEN1 1524/4885
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND HSD11B1, HSD11B2, HSD17B11 KMT2A 3033/4885ALDH1A1 77/4885MEN1 1832/4885
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 KMT2A 4521/4885ALDH1A1 162/4885MEN1 1524/4885
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR KMT2A 2969/4885ALDH1A1 564/4885MEN1 1691/4885

“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.