SCHEMBL15612596

SCHEMBL15612596

N#CC(F)c1ccc(Br)cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 17/20 0.34
S1PR1 P21453 12/20 0.34
S1PR4 O95977 8/20 0.34
S1PR2 O95136 4/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLAU P00749 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
GBA1 P04062 1/20 0.32

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
SCHEMBL30563666 0.77 KDM4E (0.39) S1PR3S1PR4S1PR2KDM4EALDH1A1
SCHEMBL595295 0.77 KDM4E (0.39) S1PR3S1PR4S1PR2KDM4EALDH1A1
SCHEMBL15612244 0.77 S1PR3 (0.36) S1PR3S1PR1S1PR4S1PR2KDM4E
SCHEMBL20209121 0.77 ADRA2A (0.35) S1PR3S1PR1S1PR4S1PR2KDM4E
SCHEMBL26713519 0.74 KDM4E (0.36) S1PR3S1PR4S1PR2KDM4EALDH1A1
SCHEMBL13316533 0.73 GBA1 (0.40) S1PR3S1PR1S1PR4S1PR2GBA1
SCHEMBL14811134 0.71 KDM4E (0.42) S1PR3S1PR1S1PR4S1PR2KDM4E
SCHEMBL15955034 0.71 KDM4E (0.42) S1PR3S1PR1S1PR4S1PR2KDM4E
SCHEMBL27936113 0.70 GBA1 (0.38) S1PR3S1PR1S1PR4S1PR2KDM4E
SCHEMBL20525062 0.70 GBA1 (0.33) S1PR3S1PR4KDM4EALDH1A1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206126-B2 Phenicol antibacterial agents ZOETIS SERVICES LLC (US) 2015-12-08 US disclosed
US-9206126-B2 Phenicol antibacterial agents ZOETIS SERVICES LLC (US) 2015-12-08 US disclosed
US-9206126-B2 Phenicol antibacterial agents ZOETIS SERVICES LLC (US) 2015-12-08 US disclosed
EP-2900641-A1 PHENICOL ANTIBACTERIAL AGENTS Zoetis LLC (US) 2015-08-05 EP disclosed
US-20140088046-A1 PHENICOL ANTIBACTERIAL AGENTS ZOETIS LLC (US) 2014-03-27 US disclosed
US-20140088046-A1 PHENICOL ANTIBACTERIAL AGENTS ZOETIS LLC (US) 2014-03-27 US disclosed
US-20140088046-A1 PHENICOL ANTIBACTERIAL AGENTS ZOETIS LLC (US) 2014-03-27 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-20140088046-A1 PHENICOL ANTIBACTERIAL AGENTS MRPL21, CLPP, CLPX S1PR3 3476/4885S1PR1 3845/4885S1PR4 3312/4885

“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.