SCHEMBL3226088

SCHEMBL3226088

COc1cc(N2CCC(O)(CCOS(=O)(=O)c3ccccc3)CC2)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
GFER P55789 2/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
HTT P42858 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.37
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
HTR6 P50406 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
APP P05067 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL3215847 0.79 CCR1 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTPOLB
SCHEMBL3212191 0.77 CCR1 (0.40) GAASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL21855515 0.73 HTT (0.42) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL3232412 0.70 GAA (0.43) GAASMN1; SMN2LMNAMAPTMEN1
Water SCHEMBL10619085 0.66 ACHE (0.55) MAPK1
SCHEMBL3224186 0.65 ALDH1A1 (0.40) SMN1; SMN2HTTALDH1A1LMNATSHR
SCHEMBL9465547 0.64 STAT3 (0.42) GAASMN1; SMN2HTTALDH1A1LMNA
SCHEMBL3223360 0.64 ALDH1A1 (0.47) SMN1; SMN2HTTALDH1A1LMNATSHR
SCHEMBL15164229 0.63 KMT2A (0.59) GAASMN1; SMN2LMNAMAPTMEN1
SCHEMBL2874775 0.62 HTR3A (0.60) LMNAMAPTHTR6

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-2084146-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-08-21 EP disclosed
US-8354432-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
EP-2084146-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Brystol-Myers Squibb Company (US) 2009-08-05 EP disclosed
WO-2008042925-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-10 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 (1 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-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CCR1, ACKR3 GAA 4124/4885GFER 2680/4885SMN1; SMN2 4432/4885

“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.