SCHEMBL5221235

SCHEMBL5221235

CC(C)(COCc1ccccc1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.45
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPRB P23467 1/20 0.42
PPARA Q07869 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SLC1A1 P43005 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 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
SCHEMBL3511351 0.92 KDM4E (0.46) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL13690849 0.84 PPARA (0.53) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL1549920 0.80 IDO1 (0.40) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL4658500 0.80 KDM4E (0.49) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL6283388 0.79 MAPT (0.43) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL1691754 0.79 KDM4E (0.53) KDM4EKMT2APOLBTSHRALDH1A1
SCHEMBL16854417 0.78 PPARA (0.53) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1691112 0.78 PTPRB (0.52) KDM4EMEN1KMT2APOLBTSHR
SCHEMBL23123287 0.78 NPC1 (0.47) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL17709304 0.77 ALDH1A1 (0.53) KDM4EKMT2APOLBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 US disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-10865186-B2 Opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2020-12-15 US disclosed
EP-3074379-B1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS INDIA PVT LTD (IN) 2019-06-26 EP disclosed
US-20180362468-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-12-20 US disclosed
US-10081602-B2 Opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2018-09-25 US disclosed
US-20170253565-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2017-09-07 US disclosed
US-9688638-B2 Opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-06-27 US disclosed
US-20170022167-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2017-01-26 US disclosed
EP-3074379-A1 OPIOID AGONISTS AND USES THEREOF Nektar Therapeutics (India) Pvt. Ltd. (IN) 2016-10-05 EP disclosed
WO-2015079459-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (INDIA) PVT.LTD. (IN) 2015-06-04 WO disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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 (8 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-20170253565-A1 OPIOID AGONISTS AND USES THEREOF OPRM1, OPRK1, OPRD1 KDM4E 3977/4885MAPT 914/4885MEN1 4819/4885
US-20170022167-A1 OPIOID AGONISTS AND USES THEREOF OPRM1, OPRK1, OPRD1 KDM4E 3977/4885MAPT 914/4885MEN1 4819/4885
US-20180362468-A1 OPIOID AGONISTS AND USES THEREOF OPRM1, OPRK1, OPRD1 KDM4E 3977/4885MAPT 914/4885MEN1 4819/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KDM4E 1129/4885MAPT 16/4885MEN1 586/4885
US-10865186-B2 Opioid agonists and uses thereof OPRM1, OPRK1, OPRD1 KDM4E 3977/4885MAPT 914/4885MEN1 4819/4885
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors P2RX3, P2RX1, P2RX5 KDM4E 3924/4885MAPT 2176/4885MEN1 2887/4885
US-10081602-B2 Opioid agonists and uses thereof OPRM1, OPRK1, OPRD1 KDM4E 3977/4885MAPT 914/4885MEN1 4819/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 KDM4E 3993/4885MAPT 2053/4885MEN1 3591/4885

“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.