SCHEMBL2188128

SCHEMBL2188128

CCCC(C(=O)O)c1c2n(c3ccccc13)C[C@H](NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
DRD2 P14416 2/20 0.38
BRD4 O60885 2/20 0.38
KCNA3 P22001 1/20 0.38
USP14 P54578 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
TBXA2R P21731 1/20 0.37
SCN9A Q15858 1/20 0.37
CCR5 P51681 1/20 0.37
EPHX2 P34913 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
MAPK8 P45983 1/20 0.35
CTSK P43235 2/20 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
SCHEMBL2188342 0.85 PTGDR2 (0.41) PTGDR2TBXA2R
SCHEMBL2189056 0.84 PTGDR2 (0.41) PTGDR2TBXA2R
SCHEMBL2190622 0.81 PTGDR2 (0.48) PTGDR2
SCHEMBL15428831 0.80 PTGDR2 (0.57) PTGDR2TBXA2R
SCHEMBL2188133 0.79 KCNA3 (0.41) KMT2AL3MBTL1CKS1BSKP1SKP2
SCHEMBL2187156 0.78 PTGDR2 (0.39) PTGDR2TBXA2R
SCHEMBL2489546 0.72 KMT2A (0.42) KMT2AL3MBTL1CKS1BSKP1SKP2
SCHEMBL833859 0.72 KMT2A (0.42) KMT2AL3MBTL1CKS1BSKP1SKP2
SCHEMBL1900255 0.72 KMT2A (0.42) KMT2AL3MBTL1CKS1BSKP1SKP2
SCHEMBL2188973 0.72 PSIP1 (0.38) KMT2APTGDR2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR KMT2A 3242/4885L3MBTL1 4542/4885CKS1B 1422/4885

“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.