SCHEMBL5527465

SCHEMBL5527465

CC(C)(C)c1cc(C(=O)O)nc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.58
▸ HSD17B10 Q99714 5/20 0.58
▸ USP2 O75604 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ CYP2C19 P33261 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ RBP4 P02753 6/20 0.44
▸ IDH2 P48735 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ TTR P02766 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL5525363 0.87 HRH4 (0.46) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL5519910 0.85 RBP4 (0.43) KDM4EHSD17B10HPGDCYP2C19TSHR
SCHEMBL1420176 0.84 RBP4 (0.42) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL5524235 0.83 ALDH1A1 (0.45) KDM4EHSD17B10HPGDTSHRGAA
SCHEMBL13494044 0.82 KDM4E (0.81) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL5528147 0.81 PIK3CA (0.47) KDM4EHSD17B10NPSR1ATMALDH1A1
SCHEMBL5559566 0.79 KDM4E (0.58) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL5525405 0.79 CKS1B (0.49) RBP4TTR
SCHEMBL725443 0.74 KDM4E (0.71) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL5844330 0.74 KDM4E (1.00) KDM4EHSD17B10USP2HPGDNPSR1

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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 — — 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 KDM4E 676/4885HSD17B10 1793/4885USP2 3446/4885

“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.

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