SCHEMBL2160440

SCHEMBL2160440

CCOC(=O)C1CCN(C(=O)OC(C)(C)C)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.42
GAA P10253 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
LGMN Q99538 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
SCHEMBL30280812 0.92 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL8308748 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL12404088 0.85 BRD4 (0.46) ALDH1A1KMT2ASMN1; SMN2HSP90AA1
SCHEMBL22051147 0.81 HSD17B10 (0.47) KMT2AMAPTSMN1; SMN2HSD17B10
SCHEMBL13929448 0.81 HPGD (0.43) KMT2AMAPTHSD17B10
SCHEMBL3543973 0.80 MEN1 (0.45) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL337418 0.79 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL24363886 0.77 KDM4E (0.40) ALDH1A1KMT2AMAPTPKM
SCHEMBL6220495 0.77 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL8263558 0.76 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TSHRMAPT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018236-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
EP-2948431-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-03-13 EP disclosed
US-9446130-B2 BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-09-20 US disclosed
US-20150353565-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948431-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
WO-2014116504-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014113942-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-8592590-B2 Tetrahydrotriazolopyridine compounds as selective MGLU5 receptor potentiators useful for the treatment of schizophrenia ELI LILLY AND COMPANY (US) 2013-11-26 US disclosed
EP-2519521-B1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA LILLY CO ELI (US) 2013-11-20 EP disclosed
EP-2519521-A1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA Eli Lilly and Company (US) 2012-11-07 EP disclosed
US-20120252838-A1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA ELI LILLY AND COMPANY (US) 2012-10-04 US disclosed
US-20120252838-A1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA ELI LILLY AND COMPANY (US) 2012-10-04 US disclosed
US-20120252838-A1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA ELI LILLY AND COMPANY (US) 2012-10-04 US disclosed
WO-2011082010-A1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA ELI LILLY AND COMPANY (US) 2011-07-07 WO 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-20150353565-A1 BTK INHIBITORS BTK, SYK, LYN ALDH1A1 4408/4885KMT2A 1082/4885MEN1 2377/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 ALDH1A1 4008/4885KMT2A 1840/4885MEN1 3403/4885
US-20120252838-A1 TETRAHYDROTRIAZOLOPYRIDINE COMPOUNDS AS SELECTIVE MGLU5 RECEPTOR POTENTIATORS USEFUL FOR THE TREATMENT OF SCHIZOPHRENIA GRM5, GRM1, GRIK5 ALDH1A1 3624/4885KMT2A 904/4885MEN1 4337/4885

“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.