SCHEMBL14908425

SCHEMBL14908425

Cc1ncn([C@@H](C)C(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
USP5 P45974 1/20 0.41
APAF1 O14727 3/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.34
PRNP P04156 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL941690 1.00 KDM4E (0.41) KDM4EALDH1A1USP5APAF1POLB
SCHEMBL19618698 0.81 RECQL (0.35) KDM4EALDH1A1POLBLMNAKMT2A
SCHEMBL29272209 0.75 USP5 (0.37) KDM4EALDH1A1USP5KMT2A
SCHEMBL16590485 0.69 LMNA (0.46) KDM4EALDH1A1USP5APAF1POLB
SCHEMBL2936341 0.68 ADORA2A (0.34) ALDH1A1
SCHEMBL908039 0.65 ALDH1A1 (0.41) KDM4EALDH1A1USP5APAF1POLB
SCHEMBL15601821 0.65 ALDH1A1 (0.44) KDM4EALDH1A1USP5
SCHEMBL2032749 0.65 CSNK2A2 (0.43) KDM4EALDH1A1USP5KMT2AMAPT
SCHEMBL3507651 0.65 CSNK2A2 (0.43) KDM4EALDH1A1USP5KMT2AMAPT
SCHEMBL1085116 0.64 KDM4E (0.41) KDM4EALDH1A1USP5APAF1POLB

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-11708371-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORP. (US) 2023-07-25 US disclosed
US-11708371-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORP. (US) 2023-07-25 US disclosed
US-20210221815-A1 Process for Making Beta 3 Agonists and Intermediates MERCK SHARP & DOHME CORP. (US) 2021-07-22 US disclosed
US-20200031838-A1 Process for Making Beta 3 Agonists and Intermediates MERCK SHARP & DOHME CORP. (US) 2020-01-30 US disclosed
US-10435410-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORPORATION (US) 2019-10-08 US disclosed
US-20190016729-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME CORP. (US) 2019-01-17 US disclosed
US-20180065973-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME CORP. (US) 2018-03-08 US disclosed
US-20180065973-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME CORP. (US) 2018-03-08 US disclosed
US-9822121-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
US-9822121-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
EP-2770996-B1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME (US) 2016-09-28 EP disclosed
US-20160176884-A1 Process for Making Beta 3 Agonists and Intermediates MERCK SHARP & DOHME CORP. (US) 2016-06-23 US disclosed
US-20160176884-A1 Process for Making Beta 3 Agonists and Intermediates MERCK SHARP & DOHME CORP. (US) 2016-06-23 US disclosed
US-20150087832-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME, CORP. (US) 2015-03-26 US disclosed
US-20150087832-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME, CORP. (US) 2015-03-26 US disclosed
WO-2013062881-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME CORP. (US) 2013-05-02 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 (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-20160176884-A1 Process for Making Beta 3 Agonists and Intermediates ADRB3, ADRB2, ADRB1 KDM4E 4201/4885ALDH1A1 293/4885USP5 1475/4885
US-20150087832-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES ADRB3, ADRB2, ADRB1 KDM4E 4201/4885ALDH1A1 293/4885USP5 1475/4885
US-20210221815-A1 Process for Making Beta 3 Agonists and Intermediates ADRB3, ADRB2, ADRB1 KDM4E 4201/4885ALDH1A1 293/4885USP5 1475/4885
US-10435410-B2 Process for making beta 3 agonists and intermediates ADRB3, ADRB2, ADRB1 KDM4E 4201/4885ALDH1A1 293/4885USP5 1475/4885
US-20180065973-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES ADRB3, ADRB2, ADRB1 KDM4E 4201/4885ALDH1A1 293/4885USP5 1475/4885
US-20190016729-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES ADRB3, ADRB2, ADRB1 KDM4E 4201/4885ALDH1A1 293/4885USP5 1475/4885
US-11708371-B2 Process for making beta 3 agonists and intermediates ADRB3, ADRB2, ADRB1 KDM4E 4201/4885ALDH1A1 293/4885USP5 1475/4885
US-20200031838-A1 Process for Making Beta 3 Agonists and Intermediates ADRB3, ADRB2, ADRB1 KDM4E 4201/4885ALDH1A1 293/4885USP5 1475/4885

“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.