SCHEMBL5519910

SCHEMBL5519910

CC(C)(C)c1cc(C(=O)O)nc(N2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ GBA1 P04062 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TTR P02766 1/20 0.38

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
SCHEMBL5524235 0.98 ALDH1A1 (0.45) RBP4ALDH1A1GAAKDM4EHPGD
SCHEMBL5528147 0.87 PIK3CA (0.47) ALDH1A1KDM4EHSD17B10HTTMAPK1
SCHEMBL1420176 0.87 RBP4 (0.42) RBP4KDM4EHPGDHSD17B10TTR
SCHEMBL5527554 0.85 GBA1 (0.46) ALDH1A1HPGDHSD17B10TSHRGBA1
SCHEMBL5525363 0.85 HRH4 (0.46) RBP4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5527465 0.85 KDM4E (0.58) RBP4ALDH1A1GAAKDM4EHPGD
SCHEMBL1179851 0.80 RBP4 (0.59) RBP4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5216228 0.78 RBP4 (0.57) RBP4ALDH1A1GAAKDM4EHPGD
SCHEMBL5525405 0.77 CKS1B (0.49) RBP4TTR
SCHEMBL2186522 0.76 ALDH1A1 (0.53) RBP4ALDH1A1GAAKDM4EHPGD

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 RBP4 3571/4885ALDH1A1 2042/4885GAA 351/4885

“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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