SCHEMBL4497845

SCHEMBL4497845

COc1ccc2cc(C(=O)O)c(Nc3cc(C)ccc3F)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.48
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AKR1C3 P42330 7/20 0.46
AKR1C2 P52895 7/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
CSF1R P07333 1/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5207273 0.87 AKR1C3 (0.46) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5210667 0.80 DHODH (0.51) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5202876 0.80 AKR1C3 (0.62) MAPTNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL5207762 0.80 AKR1C3 (0.49) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4488742 0.78 MAPT (0.53) MAPTSMN1; SMN2AKR1C3AKR1C2MEN1
SCHEMBL4482947 0.78 AKR1C3 (0.58) MAPTNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL4490345 0.78 FABP3 (0.51) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5202789 0.77 AKR1C3 (0.60) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4478341 0.77 CDC25B (0.52) MAPTNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL4484788 0.77 AKR1C3 (0.46) MAPTNPC1RAB9ASMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US claimed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP claimed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US claimed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP claimed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO claimed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP disclosed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US disclosed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP disclosed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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 (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-20060106058-A1 Chemical compounds YARS1, DAPK3, NEK3 DHODH 3395/4885MAPT 3468/4885NPC1 2367/4885

“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.