SCHEMBL4887338

SCHEMBL4887338

Cc1c(F)cc(C(=O)OC(C)(C)C)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1C(=O)Nc1nccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.55
ADORA1 P30542 7/20 0.48
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
ADORA2B P29275 1/20 0.44
TSHR P16473 1/20 0.44
MAPK14 Q16539 2/20 0.42
BUB1 O43683 1/20 0.42
CYP2C9 P11712 1/20 0.42
PRKACG P22612 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
MAPK11 Q15759 1/20 0.42
ACSL5 Q9ULC5 1/20 0.42
STK24 Q9Y6E0 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL14269570 0.92 ADORA2A (0.63) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL4884280 0.90 ADORA2A (0.58) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL14294289 0.90 ADORA2A (0.44) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL14269539 0.87 ADORA2A (0.55) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL14269571 0.86 ADORA2A (0.56) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL14269531 0.86 ADORA2A (0.53) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL14269537 0.86 ADORA2A (0.53) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL14269542 0.86 ADORA2A (0.53) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL14269538 0.86 ADORA2A (0.53) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL14269521 0.86 MAPK14 (0.61) ADORA2AADORA1ALDH1A1RAB9ANPC1

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-20080051416-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 US disclosed
US-20080051416-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 US disclosed
US-20080051416-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 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-20080051416-A1 Novel Compounds MAPK1, MAPKAPK2, MAPK6 ADORA2A 2555/4885ADORA1 3092/4885ALDH1A1 1671/4885

“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.