SCHEMBL3763504

SCHEMBL3763504

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.39
KMO O15229 1/20 0.39
CD274 Q9NZQ7 3/20 0.39
PDCD1LG2 Q9BQ51 2/20 0.39
KDM1A O60341 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
DHODH Q02127 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
PDCD1 Q15116 1/20 0.35
FYN P06241 1/20 0.35

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 0.88 CD274 (0.46) KMOCD274PDCD1LG2KDM1AADORA2A
SCHEMBL8213048 0.85 KMO (0.37) AAK1KMOCD274PDCD1LG2PDCD1
SCHEMBL3755649 0.84 DHODH (0.47) KMOCD274PDCD1LG2KDM1AADORA2A
SCHEMBL3747145 0.80 CD274 (0.38) CD274PDCD1LG2KDM1AADORA2AADORA1
SCHEMBL3757598 0.80 ADORA2A (0.39) ADORA2AADORA1DHODHJAK2JAK3
SCHEMBL8212907 0.79 MTNR1A (0.37) AAK1ADORA2AADORA1DHODHGPBAR1
SCHEMBL1920743 0.75 PDCD1 (0.49) CD274ADORA1PDCD1
SCHEMBL25460629 0.73 KDM1A (0.42) CD274PDCD1LG2KDM1AADORA2AADORA1
SCHEMBL3749452 0.73 ERN1 (0.50) CD274PDCD1LG2KDM1AADORA2AADORA1
SCHEMBL13053992 0.73 NPC1 (0.39) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 AAK1 2272/4885KMO 533/4885CD274 1943/4885

“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.