SCHEMBL5717545

SCHEMBL5717545

CC(C)c1nnsc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 4/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PKM P14618 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.31
THRB P10828 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL5209721 0.82 ABCG2 (0.38) ABCC8KCNJ11ABCG2MAPTALDH1A1
SCHEMBL13851553 0.79 TSHR (0.37) ABCC8KCNJ11ABCG2MAPTALDH1A1
SCHEMBL18396683 0.72 MAPT (0.36) ABCC8KCNJ11MAPTALDH1A1SLC6A2
SCHEMBL452517 0.71
Hydrochloric Acid SCHEMBL6602988 0.70 LMNA (0.51) MAPTALDH1A1POLBATMLMNA
SCHEMBL2212373 0.69 ALDH1A1 (0.52) MAPTALDH1A1PKMPOLBLMNA
SCHEMBL4950895 0.67 ABCC8 (0.47) ABCC8KCNJ11GAATDP1
SCHEMBL3458561 0.67 PKM (0.35) ALDH1A1PKMKDM4EHPGDTSHR
SCHEMBL30281157 0.67 ALDH1A1 (0.46) MAPTALDH1A1PKMPOLBNPC1
SCHEMBL10441248 0.65 KDM4E (0.57) PKMNPC1RAB9AKDM4ETDP1

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-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US disclosed
EP-4408530-A1 BENZIMIDAZOLES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2024-08-07 EP disclosed
EP-4192814-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-08-07 EP disclosed
CN-117616011-A Inhibitors of transglutaminase 策迪拉有限公司 2024-02-27 CN disclosed
EP-4192814-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2023-06-14 EP disclosed
WO-2023049888-A1 BENZIMIDAZOLES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 WO disclosed
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
US-20180206498-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-26 US disclosed
EP-3325467-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-30 EP disclosed
WO-2017012965-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-26 WO disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 ABCC8 1604/4885KCNJ11 441/4885ABCG2 785/4885
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 ABCC8 3519/4885KCNJ11 4191/4885ABCG2 2367/4885
US-20180206498-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS GRHPR, HACL2, PAH ABCC8 841/4885KCNJ11 1902/4885ABCG2 71/4885

“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.