SCHEMBL3759883

SCHEMBL3759883

COc1cccc(-c2ccc(C(=O)O)c(Oc3ccccc3Cl)n2)c1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.46
DHODH Q02127 3/20 0.42
CD274 Q9NZQ7 2/20 0.42
PDCD1 Q15116 1/20 0.42
EIF4E P06730 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CTSA P10619 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL3755130 0.90 KMO (0.44) KMODHODHCD274PDCD1EIF4E
SCHEMBL3747417 0.86 ALDH1A1 (0.46) DHODHCD274PDCD1NPSR1KDM4E
SCHEMBL25459770 0.85 LMNA (0.46) KMOCD274PDCD1LG2
SCHEMBL3759586 0.84 HTT (0.47) DHODHCD274PDCD1KDM4EALDH1A1
SCHEMBL3755649 0.83 DHODH (0.47) KMODHODHCD274PDCD1EIF4E
SCHEMBL3749641 0.83 DHODH (0.45) DHODHCD274PDCD1KDM4EALDH1A1
SCHEMBL3755033 0.82 PDCD1 (0.46) DHODHCD274PDCD1NPSR1KDM4E
SCHEMBL3752403 0.82 ADORA2A (0.41) KMODHODHNPSR1
SCHEMBL23943225 0.82 PLG (0.44) DHODHCD274PDCD1KDM4EPDE10A
SCHEMBL3752947 0.81 ERN1 (0.45) KMOCD274ALDH1A1HPGDPDCD1LG2

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
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
WO-2021211974-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2021-10-21 WO disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
WO-2008031501-A2 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 KMO 533/4885DHODH 1528/4885CD274 1943/4885
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 KMO 1170/4885DHODH 501/4885CD274 4380/4885

“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.