SCHEMBL145086

SCHEMBL145086

CCc1c(C(=O)O)c(=O)c2cc(F)c(F)c(C=CC[C@@H]3[C@H](O)CCN3C(=O)OC(C)(C)C)c2n1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL146708 1.00 KDM4E (0.30) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL143968 0.90
SCHEMBL141751 0.90
SCHEMBL141427 0.87 CYP1A2 (0.30)
SCHEMBL149074 0.87 CYP1A2 (0.30)
SCHEMBL143931 0.84 JAK2 (0.30) KMT2A
SCHEMBL144357 0.84 JAK2 (0.30) KMT2A
SCHEMBL144926 0.84 JAK2 (0.30) KMT2A
SCHEMBL144894 0.84 JAK2 (0.30) KMT2A
SCHEMBL141217 0.84 KDM4E (0.30) KDM4EALDH1A1HPGDHSD17B10LMNA

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 KDM4E 2563/4885ALDH1A1 1678/4885HPGD 917/4885

“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.