SCHEMBL13044122

SCHEMBL13044122

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

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.45
S1PR4 O95977 4/20 0.44
S1PR5 Q9H228 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTPN1 P18031 1/20 0.41
SLC9A1 P19634 1/20 0.41
S1PR2 O95136 2/20 0.41
S1PR3 Q99500 2/20 0.41
LMNA P02545 1/20 0.41
PDE2A O00408 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
SCHEMBL13078465 0.85 MEN1 (0.56) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL30370342 0.84 MEN1 (0.57) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL4946316 0.84 MEN1 (0.57) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL3063301 0.84 MEN1 (0.54) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL13044123 0.82 S1PR4 (0.60) MEN1KMT2AS1PR4S1PR5SLC9A1
SCHEMBL13044141 0.78 CYP1A2 (0.49) SMN1; SMN2KDM4ECYP1A2CYP2C19SLC9A1
SCHEMBL4944264 0.78 SLC9A1 (0.71) SLC9A1
SCHEMBL13044117 0.76 CYP1A2 (0.71) MEN1KMT2ASMN1; SMN2KDM4ECYP1A2
SCHEMBL4944262 0.76 MEN1 (0.55) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL266467 0.75 PTPN1 (0.47) MEN1KMT2AHTTSMN1; SMN2PTPN1

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 MEN1 3015/4885KMT2A 4491/4885HTT 4524/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 MEN1 3015/4885KMT2A 4491/4885HTT 4524/4885

“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.