SCHEMBL16366239

SCHEMBL16366239

CCCCCCCCCC(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44
PDE2A O00408 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER2 P43116 4/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
CACNA1F O60840 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL14614552 1.00 HSD11B1 (0.44) HSD11B1S1PR2S1PR1S1PR3LPAR2
SCHEMBL28439330 1.00 HSD11B1 (0.44) HSD11B1S1PR2S1PR1S1PR3LPAR2
SCHEMBL2277018 0.95 KIF11 (0.42) HSD11B1S1PR2S1PR1S1PR3LPAR2
SCHEMBL2267312 0.95 KIF11 (0.42) HSD11B1S1PR2S1PR1S1PR3LPAR2
SCHEMBL2274452 0.95 KIF11 (0.42) HSD11B1S1PR2S1PR1S1PR3LPAR2
SCHEMBL2274456 0.95 KIF11 (0.42) HSD11B1S1PR2S1PR1S1PR3LPAR2
SCHEMBL2274458 0.95 KIF11 (0.42) HSD11B1S1PR2S1PR1S1PR3LPAR2
SCHEMBL2277014 0.95 KIF11 (0.42) HSD11B1S1PR2S1PR1S1PR3LPAR2
SCHEMBL2268729 0.93 KIF11 (0.43) HSD11B1S1PR2S1PR1S1PR3LPAR2
SCHEMBL2268737 0.93 KIF11 (0.43) HSD11B1S1PR2S1PR1S1PR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049884-A1 USE OF ANTI-CCR5 ANTIBODIES IN GRAFT VERSUS HOST DISEASE CYTODYN INC. (US) 2017-02-23 US disclosed
US-20140377259-A1 METHODS FOR INHIBITING HIV-1 REPLICATION INVOLVING THE ADMINISTRATION OF AN ANTI-CCR5 RECEPTOR MONOCLONAL ANTIBODY AND SMALL MOLECULE CCR5 RECEPTOR ANTAGONIST CYTODYN INC. 2014-12-25 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 (2 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-20140377259-A1 METHODS FOR INHIBITING HIV-1 REPLICATION INVOLVING THE ADMINISTRATION OF AN ANTI-CCR5 RECEPTOR MONOCLONAL ANTIBODY AND SMALL MOLECULE CCR5 RECEPTOR ANTAGONIST CD4, CCR5, HAVCR2 HSD11B1 2223/4885S1PR2 351/4885S1PR1 123/4885
US-20170049884-A1 USE OF ANTI-CCR5 ANTIBODIES IN GRAFT VERSUS HOST DISEASE CCR5, CD4, CCR10 HSD11B1 2088/4885S1PR2 145/4885S1PR1 92/4885

“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.