SCHEMBL9891509

SCHEMBL9891509

CC(C)(C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.56
GRM4 Q14833 1/20 0.55
PGR P06401 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 2/20 0.50
CNR2 P34972 1/20 0.50
SLC22A12 Q96S37 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
KDR P35968 1/20 0.47
LCK P06239 1/20 0.47
CTSL P07711 1/20 0.47
PTPRC P08575 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
CTSS P25774 1/20 0.47
PTPN13 Q12923 1/20 0.47
CDK8 P49336 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4123404 0.89 AR (0.64) ARGRM4PGRCYP3A4CNR2
SCHEMBL8029788 0.88 AR (0.60) ARGRM4PGRCYP3A4CNR2
SCHEMBL9891510 0.87 L3MBTL1 (0.56) ARL3MBTL1PGRCYP3A4MAPT
SCHEMBL8530877 0.87 AR (0.58) ARL3MBTL1GRM4PGRCYP3A4
SCHEMBL4136403 0.85 AR (0.58) ARGRM4PGRCYP3A4CNR2
SCHEMBL13482585 0.84 L3MBTL1 (0.56) ARL3MBTL1PGRCYP3A4MAPT
SCHEMBL463590 0.83 AR (0.62) ARL3MBTL1GRM4MAPTKDR
SCHEMBL344357 0.83 L3MBTL1 (0.64) L3MBTL1MAPTNPSR1LCKCTSL
SCHEMBL4137272 0.83 AR (0.74) ARPGR
SCHEMBL4137264 0.83 AR (0.74) ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 US disclosed
CN-116600801-A HSD17B13 inhibitors and uses thereof FL2022-001公司 2023-08-15 CN disclosed
EP-4221701-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 EP disclosed
WO-2022072491-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 WO disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 AR 631/4885L3MBTL1 4866/4885GRM4 529/4885
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 AR 688/4885L3MBTL1 4308/4885GRM4 303/4885
US-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 AR 463/4885L3MBTL1 3801/4885GRM4 3777/4885

“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.