SCHEMBL4993025

SCHEMBL4993025

Cc1ccc(S(=O)(=O)n2cc(C)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 3/20 0.46
MMP2 P08253 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
CRBN Q96SW2 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL16882335 0.88 ALDH1A1 (0.50) GRM4MEN1KMT2AALDH1A1LMNA
SCHEMBL2574273 0.84 GRM4 (0.48) GRM4MEN1KMT2ACA1CA2
SCHEMBL27463601 0.84 GRM4 (0.51) GRM4MEN1KMT2ACA1CA2
SCHEMBL422433 0.84 GRM4 (0.48) GRM4MEN1KMT2ACA1CA2
SCHEMBL29493429 0.84 GAA (0.53) GRM4MEN1KMT2ACA1CA2
SCHEMBL1278809 0.84 MEN1 (0.54) GRM4MEN1KMT2ACA1CA2
SCHEMBL3439397 0.82 GRM4 (0.46) GRM4MEN1KMT2ACA1CA2
SCHEMBL568158 0.82 GRM4 (0.46) GRM4MEN1KMT2ACA1CA2
SCHEMBL3439395 0.82 GRM4 (0.46) GRM4MEN1KMT2ACA1CA2
SCHEMBL14920592 0.80 GRM4 (0.51) GRM4MEN1KMT2ACA1CA2

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-1363993-A4 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF I$g(k)B KINASE (IKK) BRISTOL MYERS SQUIBB CO (US) 2008-11-12 EP disclosed
EP-1325009-B1 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2006-03-08 EP disclosed
US-6960585-B2 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-01 US disclosed
US-6869956-B2 Methods of treating inflammatory and immune diseases using inhibitors of IκB kinase (IKK) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-22 US disclosed
EP-1363993-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF I$g(k)B KINASE (IKK) Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
EP-1325009-A2 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2003-07-09 EP disclosed
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) BRISTOL-MYERS SQUIBB COMPANY 2003-01-30 US disclosed
WO-2002060386-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF IλB KINASE (IKK) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO disclosed
US-20020072523-A1 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2002-06-13 US disclosed
WO-2002028860-A2 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-11 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 (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-20020072523-A1 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same IL4, IL4I1, MSR1 GRM4 1071/4885MEN1 4334/4885KMT2A 2115/4885
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) NFKBIA, IKBKG, IKBKB GRM4 3808/4885MEN1 4123/4885KMT2A 616/4885

“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.