SCHEMBL2996925

SCHEMBL2996925

CCc1ccc(S(=O)(=O)CC[C@H](C)N(C)C2CCC(N)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
CA2 P00918 1/20 0.37
RORC P51449 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
IL17A Q16552 2/20 0.33
PSIP1 O75475 1/20 0.33
CCR2 P41597 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
HSD11B1 P28845 1/20 0.33
MCHR1 Q99705 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL16456499 1.00 HTR2A (0.40) HTR2AHTR2CCA2RORCMEN1
SCHEMBL16456530 0.87 POLB (0.38) MEN1KMT2ACCR2MMP1MMP13
SCHEMBL2992306 0.87 POLB (0.38) MEN1KMT2ACCR2MMP1MMP13
SCHEMBL2991411 0.86 KMT2A (0.37) HTR2AHTR2CMEN1KMT2APSIP1
SCHEMBL5753723 0.86 KMT2A (0.37) HTR2AHTR2CMEN1KMT2APSIP1
SCHEMBL16456497 0.71 CCR2 (0.49) HTR2AHTR2CCCR2
SCHEMBL2996923 0.71 CCR2 (0.49) HTR2AHTR2CCCR2
SCHEMBL29296587 0.71 CA2 (0.50) CA2MEN1KMT2APSIP1MMP1
SCHEMBL22254882 0.70 SLC6A4 (0.33) HTR2AHTR2CMCHR1
SCHEMBL5033532 0.66 OPRM1 (0.36)

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-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US 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-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 HTR2A 4055/4885HTR2C 4423/4885CA2 1252/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 HTR2A 4180/4885HTR2C 4543/4885CA2 1150/4885

“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.