SCHEMBL6311489

SCHEMBL6311489

CCCCC(C(=O)CC)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.55
CA1 P00915 4/20 0.55
ZDHHC7 Q9NXF8 1/20 0.47
ABCB1 P08183 1/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
BIRC2 Q13490 1/20 0.36
NAAA Q02083 1/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 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
SCHEMBL10611432 0.88 CA1 (0.44) CA2CA1ZDHHC7ABCB1TSHR
SCHEMBL3626129 0.87 CA2 (0.63) CA2CA1ZDHHC7ABCB1TSHR
SCHEMBL28184403 0.86 CA2 (0.53) CA2CA1ZDHHC7ABCB1TSHR
SCHEMBL28183558 0.86 CA1 (0.53) CA2CA1ZDHHC7ABCB1TSHR
SCHEMBL29071012 0.86 CA2 (0.42) CA2CA1ZDHHC7TSHRCYP3A4
SCHEMBL6311749 0.85 CA2 (0.52) CA2CA1ZDHHC7ABCB1TSHR
SCHEMBL18256596 0.84 MAPT (0.44) CA2CA1ZDHHC7ABCB1TSHR
SCHEMBL5692727 0.83 CA2 (0.59) CA2CA1ZDHHC7ABCB1TSHR
SCHEMBL31022646 0.83 ZDHHC7 (0.51) CA2CA1ZDHHC7MAPK1POLB
SCHEMBL5731151 0.82 CA2 (0.57) CA2CA1ZDHHC7ABCB1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
CN-1633434-A Imidazo [1, 2-a ] pyridine derivatives DAIICHI SEIYAKU CO (JP) 2005-06-29 CN disclosed
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP 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-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP CA2 1361/4885CA1 2868/4885ZDHHC7 978/4885
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 CA2 2944/4885CA1 4554/4885ZDHHC7 4562/4885

“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.