SCHEMBL5033753

SCHEMBL5033753

N[C@H]1CCC2(C[C@@H]1CS(=O)(=O)c1ccccc1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
MMP2 P08253 4/20 0.36
ANPEP P15144 2/20 0.36
CCR2 P41597 2/20 0.35
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5027380 1.00 POLB (0.41) POLBCRBNALDH1A1TSHRRECQL
SCHEMBL5029687 0.88 CRBN (0.41) POLBCRBNALDH1A1ESR2L3MBTL1
SCHEMBL24969137 0.79 POLB (0.51) POLBCRBNALDH1A1TSHRRECQL
SCHEMBL4427129 0.74 ALDH1A1 (0.41) POLBCRBNALDH1A1TSHRRECQL
SCHEMBL4412545 0.73 ALDH1A1 (0.41) POLBALDH1A1TSHRRECQLESR2
SCHEMBL4412540 0.73 ALDH1A1 (0.41) POLBALDH1A1TSHRRECQLESR2
SCHEMBL4424562 0.71 MMP2 (0.39) POLBALDH1A1TSHRRECQLESR2
SCHEMBL4424561 0.71 MMP2 (0.39) POLBALDH1A1TSHRRECQLESR2
SCHEMBL4415326 0.71 MMP2 (0.44) POLBALDH1A1TSHRRECQLESR2
SCHEMBL4473425 0.69 SI (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 POLB 1627/4885CRBN 3913/4885ALDH1A1 1195/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 POLB 1627/4885CRBN 3913/4885ALDH1A1 1195/4885

“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.