SCHEMBL13044123

SCHEMBL13044123

CC(C)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 15/20 0.60
S1PR5 Q9H228 4/20 0.60
SLC9A1 P19634 1/20 0.59
S1PR2 O95136 7/20 0.57
S1PR3 Q99500 3/20 0.57
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
S1PR1 P21453 2/20 0.55
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL13078669 0.83 SLC9A1 (0.63) S1PR4S1PR5SLC9A1S1PR2S1PR3
SCHEMBL13044122 0.82 MEN1 (0.53) S1PR4S1PR5SLC9A1S1PR2S1PR3
SCHEMBL12670456 0.81 ALDH1A1 (0.68) S1PR4S1PR5SLC9A1S1PR2S1PR3
SCHEMBL4946520 0.81 S1PR4 (0.62) S1PR4S1PR5SLC9A1S1PR2S1PR3
SCHEMBL15218327 0.80 SLC9A1 (0.72) S1PR4S1PR5SLC9A1S1PR2S1PR3
SCHEMBL13044091 0.78 ALDH1A1 (0.59) SLC9A1LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL13809597 0.76 S1PR4 (0.52) S1PR4S1PR5SLC9A1S1PR2S1PR3
SCHEMBL4946325 0.74 SLC9A1 (1.00) SLC9A1
SCHEMBL4946319 0.72 SLC9A1 (0.61) S1PR4S1PR5SLC9A1S1PR2S1PR3
SCHEMBL8168081 0.72 ALDH1A1 (0.59) LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 S1PR4 51/4885S1PR5 41/4885SLC9A1 773/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 S1PR4 51/4885S1PR5 41/4885SLC9A1 773/4885

“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.