SCHEMBL3755649

SCHEMBL3755649

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.47
KMO O15229 1/20 0.45
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM1A O60341 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
EIF4E P06730 1/20 0.39
CD274 Q9NZQ7 2/20 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
SCHEMBL23943222 0.89 CD274 (0.46) DHODHKMOALDH1A1KDM1AADORA2A
SCHEMBL1919686 0.87 DHODH (0.50) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3763504 0.84 AAK1 (0.39) DHODHKMOKDM1AADORA2AADORA1
SCHEMBL3759883 0.83 KMO (0.46) DHODHKMOKDM4EALDH1A1HPGD
SCHEMBL18376138 0.79 DHODH (0.53) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3749452 0.78 ERN1 (0.50) ALDH1A1KDM1AADORA2AADORA1NFE2L2
SCHEMBL25460629 0.78 KDM1A (0.42) KDM1AADORA2AADORA1CD274PDCD1LG2
SCHEMBL3749641 0.78 DHODH (0.45) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11907627 0.77 DHODH (0.44) DHODHKMOKDM1AADORA2AADORA1
SCHEMBL3752597 0.76 ADORA2A (0.41) DHODHKMOKDM4EHPGDADORA2A

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 5 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
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

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 DHODH 1528/4885KMO 533/4885KDM4E 1949/4885
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 DHODH 501/4885KMO 1170/4885KDM4E 3882/4885

“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.