SCHEMBL4420680

SCHEMBL4420680

COC(=O)CCC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.56
WNT3A P56704 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
CES2 O00748 1/20 0.54
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
P2RX1 P51575 1/20 0.48
LMNA P02545 1/20 0.48
ACHE P22303 1/20 0.48
TP53BP1 Q12888 1/20 0.47

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
SCHEMBL449754 0.88 NPSR1 (0.57) CTNNB1WNT3ANPSR1CES2ALDH1A1
SCHEMBL8384471 0.86 CTNNB1 (0.54) CTNNB1WNT3ANPSR1CES2ALDH1A1
SCHEMBL19707220 0.84 NPSR1 (0.56) CTNNB1WNT3ANPSR1CES2ALDH1A1
SCHEMBL3032732 0.83 CTNNB1 (0.60) CTNNB1WNT3ANPSR1CES2ALDH1A1
SCHEMBL15988788 0.82 CTNNB1 (0.67) CTNNB1WNT3ACES2ALDH1A1POLB
SCHEMBL9468405 0.81 ALDH1A1 (0.61) CTNNB1WNT3ANPSR1CES2ALDH1A1
SCHEMBL744906 0.81 CTNNB1 (0.62) CTNNB1WNT3ACES2ALDH1A1POLB
SCHEMBL30758861 0.81 CES2 (0.69) CTNNB1WNT3ANPSR1CES2ALDH1A1
SCHEMBL1274789 0.81 NPSR1 (0.50) CTNNB1WNT3ANPSR1CES2ALDH1A1
SCHEMBL9745666 0.80 CES2 (0.59) CTNNB1WNT3ANPSR1CES2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP disclosed
EP-2098508-A1 Cyclic derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2009-09-09 EP disclosed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 US disclosed
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 EP disclosed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 EP disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 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 (3 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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CTNNB1 4537/4885WNT3A 2895/4885NPSR1 309/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CTNNB1 4310/4885WNT3A 2739/4885NPSR1 304/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CTNNB1 4537/4885WNT3A 2895/4885NPSR1 309/4885

“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.