SCHEMBL3551336

SCHEMBL3551336

FC(F)(F)Sc1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.47
SLC6A4 P31645 1/20 0.47
ALDH1A1 P00352 3/20 0.46
USP28 Q96RU2 1/20 0.46
USP25 Q9UHP3 1/20 0.46
RAB9A P51151 1/20 0.46
PTGER1 P34995 3/20 0.46
LMNA P02545 1/20 0.45
MAOB P27338 1/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
LRRK2 Q5S007 1/20 0.43
PTPN1 P18031 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL24697569 0.81 CCR5 (0.53) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL30015397 0.81 CCR5 (0.53) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL30955958 0.78 PTGER1 (0.54) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL3726426 0.78 PTGER1 (0.54) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL3550476 0.77 SLC6A4 (0.56) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL31751182 0.77 SLC6A4 (0.56) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL20456269 0.77 SLC6A4 (0.56) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL368071 0.76 SLC6A4 (0.66) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL31644088 0.76 SLC6A4 (0.66) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL224277 0.75 KDM1A (0.55) CCR5SLC6A4ALDH1A1USP28USP25

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 WO 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE CCR5 4796/4885SLC6A4 2359/4885ALDH1A1 2309/4885

“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.