SCHEMBL3760733

SCHEMBL3760733

CC(C)(C)c1cnc2cc(Br)c(O)c(C(=O)O)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
KDM4E B2RXH2 2/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
TTR P02766 1/20 0.33
TSHR P16473 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP2C9 P11712 1/20 0.32
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
COMT P21964 1/20 0.30
NQO2 P16083 1/20 0.30
PRNP P04156 1/20 0.30
PPARG P37231 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30

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
SCHEMBL3517038 0.83 EGLN3 (0.46)
SCHEMBL3520731 0.75 SMN1; SMN2 (0.41) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL3519604 0.73 KDM4E (0.45) KDM4ETTRAKR1C4AKR1C3AKR1C2
SCHEMBL3524091 0.72 DHODH (0.40) RXFP1
SCHEMBL3519670 0.70 KMO (0.44) CYP2C9ALDH1A1
SCHEMBL3537332 0.69 KMO (0.45) KDM4ETTRHIF1AHSD17B10ALDH1A1
SCHEMBL3391482 0.68 AKR1C4 (0.40) KDM4ETTRTSHRAKR1C4AKR1C3
SCHEMBL3521940 0.64 HPGD (0.41) KDM4ETTRCYP2C9CYP3A4HPGD
SCHEMBL7113177 0.64 TTR (0.58) GLRA3GLRBKDM4ETTRTSHR
SCHEMBL3519937 0.63 RXFP1 (0.47) KDM4EHSD17B10PRNPPPARGRXFP1

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-20100305133-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-12-02 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-20100305133-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 GLRA3 2144/4885GLRB 1901/4885KDM4E 176/4885

“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.