SCHEMBL6022353

SCHEMBL6022353

CC(=O)NCC(O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
CFTR P13569 4/20 0.38
CETP P11597 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
ACVR1 Q04771 1/20 0.35
NPC1 O15118 1/20 0.35
MTNR1A P48039 5/20 0.34
MTNR1B P49286 5/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL17777051 1.00 PKM (0.45) PKMCFTRCETPKDM4EMAPK1
SCHEMBL17777034 1.00 PKM (0.45) PKMCFTRCETPKDM4EMAPK1
SCHEMBL26076140 0.79 TSHR (0.40) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL14842172 0.79 PKM (0.46) PKMCFTRCETPMAPK1ACVR1
SCHEMBL24015915 0.79 PKM (0.46) PKMCFTRCETPACVR1GAA
SCHEMBL24015930 0.79 PKM (0.46) PKMCFTRCETPACVR1GAA
SCHEMBL31165395 0.79 PKM (0.46) PKMCFTRCETPMAPK1ACVR1
SCHEMBL24333753 0.78 PKM (0.42) PKMCFTRCETPACVR1GAA
SCHEMBL12847058 0.78 PKM (0.42) PKMCFTRCETPKDM4EACVR1
SCHEMBL23866608 0.78 PKM (0.42) PKMCFTRCETPACVR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 WO disclosed
US-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
EP-1620399-A1 INDOLONE-ACETAMIDE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2006-02-01 EP disclosed
WO-2004087658-A1 INDOLONE-ACETAMIDE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2004-10-14 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 (2 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 PKM 2543/4885CFTR 665/4885CETP 1493/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 PKM 1535/4885CFTR 75/4885CETP 3507/4885

“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.