SCHEMBL139696

SCHEMBL139696

CC1(C(=O)O)CCC(C=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.54
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
STAT6 P42226 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL139695 1.00 FFAR3 (0.54) FFAR3MAPK1NPSR1TP53NFKB1
SCHEMBL28705788 0.81 FFAR3 (0.52) FFAR3MAPK1NPSR1TP53NFKB1
SCHEMBL13627119 0.81 TDP1 (0.32) FFAR3L3MBTL1
SCHEMBL20295889 0.78 FFAR3 (0.33) FFAR3NPSR1LMNA
SCHEMBL5545102 0.77 FFAR3 (0.59) FFAR3MAPK1NPSR1TP53NFKB1
SCHEMBL28642237 0.75 FFAR3 (0.30) FFAR3
SCHEMBL23458958 0.75 FFAR3 (0.62) FFAR3MAPK1NPSR1TP53NFKB1
SCHEMBL1845049 0.75 ESR2 (0.36)
SCHEMBL1468704 0.75 FFAR3 (0.62) FFAR3MAPK1NPSR1TP53NFKB1
SCHEMBL1845048 0.75 ESR2 (0.36)

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 CN disclosed
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 US disclosed
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 US disclosed
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 US disclosed
EP-3558985-B1 BENZOOXAZOLE DERIVATIVES AS IMMUNOMODULATORS INCYTE CORP (US) 2022-09-07 EP disclosed
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-06-23 US disclosed
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-06-23 US disclosed
US-11339149-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2022-05-24 US disclosed
US-11339149-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2022-05-24 US disclosed
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
EP-2448933-B1 TRANS-4-[[(5S)-5-[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHYL](2-METHYL-2H-TETRAZOL-5-YL)AMINO]-2,3,4,5-TETRAHYDRO-7,9-DIMETHYL-1H-1-BENZAZEPIN-1-YL]METHYL]-CYCLOHEXANECARBOXYLIC ACID LILLY CO ELI (US) 2013-08-28 EP disclosed
US-8329688-B2 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2012-12-11 US disclosed
US-8299060-B2 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2012-10-30 US disclosed
EP-2448933-A1 TRANS-4-[[(5S)-5-[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHYL](2-METHYL-2H-TETRAZOL-5-YL)AMINO]-2,3,4,5-TETRAHYDRO-7,9-DIMETHYL-1H-1-BENZAZEPIN-1-YL]METHYL]-CYCLOHEXANECARBOXYLIC ACID Eli Lilly and Company (US) 2012-05-09 EP disclosed
US-20120058990-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2012-03-08 US disclosed
WO-2011002696-A1 TRANS-4-[[(5S)-5-[[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHYL] (2-METHYL-2H-TETRAZOL-5-YL)AMINO]-2,3,4,5-TETRAHYDRO-7,9-DIMETHYL-1H-1-BENZAZEPIN-1-YL]METHYL]-CYCLOHEXANECARBOXYLIC ACID ELI LILLY AND COMPANY (US) 2011-01-06 WO disclosed
US-20100331309-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2010-12-30 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 (6 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-11339149-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS FFAR3 3572/4885MAPK1 3802/4885NPSR1 1555/4885
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS FFAR3 3572/4885MAPK1 3802/4885NPSR1 1555/4885
US-20120058990-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NT5C, HTR5A FFAR3 197/4885MAPK1 2010/4885NPSR1 2141/4885
US-11787793-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS FFAR3 3572/4885MAPK1 3802/4885NPSR1 1555/4885
US-20100331309-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GRIK5, NT5C FFAR3 146/4885MAPK1 1739/4885NPSR1 1854/4885
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS FFAR3 3572/4885MAPK1 3802/4885NPSR1 1555/4885

“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.