SCHEMBL3749641

SCHEMBL3749641

COc1cccc(-c2ccc(C(=O)O)c(Oc3cc(F)ccc3F)n2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.45
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
ABCB11 O95342 1/20 0.39
CYP2C9 P11712 1/20 0.39
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
CD274 Q9NZQ7 2/20 0.39
PDCD1 Q15116 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3757716 0.91 EIF4E (0.39) DHODHCD274PDCD1KDM4EALDH1A1
SCHEMBL23943225 0.89 PLG (0.44) DHODHCD274PDCD1ADORA2AADORA1
SCHEMBL3747145 0.87 CD274 (0.38) DHODHCCNT1CDK9ABCB11CYP2C9
SCHEMBL3759883 0.83 KMO (0.46) DHODHCD274PDCD1PDE10AKDM4E
SCHEMBL3759586 0.83 HTT (0.47) DHODHCCNT1CDK9CD274PDCD1
SCHEMBL3753505 0.82 ALDH1A1 (0.43) DHODHCD274PDCD1KDM4EALDH1A1
SCHEMBL3758001 0.81 PLAU (0.43) DHODHCD274PDCD1KDM4EALDH1A1
SCHEMBL23925787 0.80 ADORA2A (0.39) DHODHCCNT1CDK9SCN9ACD274
SCHEMBL23925778 0.80 CD274 (0.46) DHODHCCNT1CDK9CYP2C9CD274
SCHEMBL3747340 0.79 KDM4E (0.44) SCN9AKDM4EALDH1A1HPGDHSD17B10

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 6 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

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 1528/4885CCNT1 3234/4885CDK9 3582/4885
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 DHODH 501/4885CCNT1 3624/4885CDK9 2216/4885

“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.