SCHEMBL17844782

SCHEMBL17844782

CCOC(=O)CCC(NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CTSK P43235 5/20 0.48
CTSS P25774 2/20 0.48
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 2/20 0.43
SYK P43405 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
ACE P12821 1/20 0.42
RIPK1 Q13546 1/20 0.42

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
SCHEMBL28499841 0.94 CTSK (0.48) TSHRCTSKCTSSCYP2C19CYP1A2
SCHEMBL24876970 0.93 CTSK (0.47) TSHRCTSKCTSSCYP2C19CYP1A2
SCHEMBL27763891 0.88 TSHR (0.51) TSHRCTSKCTSSCYP2C19CYP1A2
SCHEMBL1274264 0.88 TSHR (0.51) TSHRCTSKCTSSCYP2C19CYP1A2
SCHEMBL13929424 0.88 TSHR (0.51) TSHRCTSKCTSSCYP2C19CYP1A2
SCHEMBL27488331 0.88 CTSK (0.51) TSHRCTSKCTSSHTTMAPT
SCHEMBL4712952 0.88 CTSK (0.51) TSHRCTSKCTSSHTTMAPT
SCHEMBL6185014 0.88 CTSK (0.51) TSHRCTSKCTSSHTTMAPT
SCHEMBL4583120 0.85 CTSK (0.53) CTSKCTSSMAPTATMACE
SCHEMBL4961187 0.85 CTSK (0.56) CTSKCTSSMAPTALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283639-A1 EPITHELIAL SODIUM CHANNEL (ENAC) INHIBITOR CONJUGATES AND METHODS FOR USE THEREOF LUNG THERAPEUTICS, INC. (US) 2023-01-12 WO disclosed
EP-3233859-B1 BRIDGED PYRAZOLOPYRIDINE DERIVATIVES AS ERK INHIBITORS USEFUL FOR THE TREATEMENT OF CANCER MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-9988397-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
EP-3233859-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170267695-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016095088-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016100051-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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 (1 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-20170267695-A1 ERK INHIBITORS MAPK1, MAP3K1, MAPK4 TSHR 2964/4885CTSK 2212/4885CTSS 2646/4885

“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.