SCHEMBL3428340

SCHEMBL3428340

CSc1ccc(C(=O)NC2CCCCC2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.58
HDAC4 P56524 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MLYCD O95822 1/20 0.47
SSTR3 P32745 2/20 0.46
ADRB2 P07550 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
GLP1R P43220 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
PLK1 P53350 1/20 0.43
TAS1R3 Q7RTX0 4/20 0.43
TAS1R2 Q8TE23 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
ALDH1A1 P00352 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
SCHEMBL3894274 0.88 CCR2 (0.69) CCR2HDAC4HDAC6ADRB2HRH1
SCHEMBL12810188 0.85 HDAC4 (0.59) CCR2HDAC4HDAC6MLYCDSSTR3
SCHEMBL2994407 0.83 TAS1R3 (0.47) CCR2HDAC4HDAC6GPR119TAS1R3
SCHEMBL2994404 0.83 TAS1R3 (0.47) CCR2HDAC4HDAC6GPR119TAS1R3
SCHEMBL12810185 0.82 HDAC4 (0.56) CCR2HDAC4HDAC6MLYCDSSTR3
SCHEMBL4398766 0.82 HDAC4 (0.55) HDAC4HDAC6MLYCDSSTR3TAS1R3
SCHEMBL3885463 0.81 CCR2 (0.53) CCR2MLYCDSSTR3ADRB2HRH1
SCHEMBL3885460 0.81 CCR2 (0.53) CCR2MLYCDSSTR3ADRB2HRH1
SCHEMBL4564140 0.81 HDAC4 (0.55) HDAC4HDAC6MLYCDSSTR3PLK1
SCHEMBL4563958 0.81 HDAC4 (0.55) HDAC4HDAC6MLYCDSSTR3PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP disclosed
US-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-7291615-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CCR2 5/4885HDAC4 2460/4885HDAC6 2163/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CCR2 5/4885HDAC4 2359/4885HDAC6 2051/4885

“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.