SCHEMBL16630325

SCHEMBL16630325

C[C@@H](NC(=O)OC(C)(C)C)c1n[nH]c(=O)o1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
TSHR P16473 3/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 2/20 0.44
MAPT P10636 1/20 0.44
EPHX2 P34913 1/20 0.42
LMNA P02545 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSK P43235 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL16629746 0.86 LMNA (0.49) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL14597535 0.80 CA1 (0.46) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL21048453 0.74 KMT2A (0.68) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL16829044 0.74 KMT2A (0.68) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL5806483 0.72 KMT2A (0.67) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL5806478 0.72 KMT2A (0.67) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL23796372 0.72 KMT2A (0.51) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL3510634 0.71 KMT2A (0.51) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL3510632 0.71 KMT2A (0.51) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL20777777 0.71 EPHX2 (0.42) KMT2ATSHRHSD17B10ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486248-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH BAYER AKTIENGESELLSCHAFT (DE) 2025-12-02 US disclosed
US-20230365524-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2023-11-16 US disclosed
US-11713304-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH BAYER AKTIENGESELLSCHAFT (DE) 2023-08-01 US disclosed
US-20220135536-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2022-05-05 US disclosed
EP-3532468-B1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AG (DE) 2022-03-23 EP disclosed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 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 (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-11713304-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH DHODH, DHPS, DPYD KMT2A 2263/4885TSHR 3994/4885HSD17B10 97/4885
US-20220135536-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DHPS, DPYD KMT2A 2263/4885TSHR 3994/4885HSD17B10 97/4885
US-12486248-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH DHODH, DHPS, DPYD KMT2A 2263/4885TSHR 3994/4885HSD17B10 97/4885
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 KMT2A 4197/4885TSHR 342/4885HSD17B10 2611/4885
US-20230365524-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DHPS, DPYD KMT2A 2263/4885TSHR 3994/4885HSD17B10 97/4885

“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.