SCHEMBL4914197

SCHEMBL4914197

Cc1cccnc1NS(=O)(=O)c1ccc(/C=C/c2cc(C(=O)O)c(O)cc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 4/20 0.59
TSHR P16473 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 2/20 0.39
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
SLCO2B1 O94956 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
MMP1 P03956 1/20 0.39
ABCB1 P08183 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
TBXAS1 P24557 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4914202 1.00 SLC7A11 (0.59) SLC7A11TSHRMEN1KMT2AALDH1A1
SCHEMBL8058537 0.89 SLC7A11 (0.47) SLC7A11TSHRMEN1KMT2AALDH1A1
SCHEMBL8058540 0.89 SLC7A11 (0.47) SLC7A11TSHRMEN1KMT2AALDH1A1
SCHEMBL8058554 0.86 SLC7A11 (0.71) SLC7A11TSHRMEN1KMT2AALDH1A1
SCHEMBL8058555 0.86 SLC7A11 (0.71) SLC7A11TSHRMEN1KMT2AALDH1A1
SCHEMBL8057929 0.85 SLC7A11 (0.70) SLC7A11TSHRMEN1KMT2AALDH1A1
Acetone SCHEMBL8069248 0.85 SLC7A11 (0.69) SLC7A11TSHRMEN1KMT2AALDH1A1
Acetone SCHEMBL8069250 0.85 SLC7A11 (0.69) SLC7A11TSHRMEN1KMT2AALDH1A1
SCHEMBL8071854 0.80 SLC7A11 (0.76) SLC7A11TSHRMEN1KMT2AALDH1A1
Potassium Ion SCHEMBL8057923 0.78 SLC7A11 (0.59) SLC7A11TSHRMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090788-A1 Chemical Compounds UNIVERSITY OF SOUTHAMPTON (GB) 2008-04-17 US claimed
EP-1835900-A1 SULFASALAZINE ANALOGUES AS NF-KB INHIBITORS UNIVERSITY OF SOUTHAMPTON (GB) 2007-09-26 EP claimed
WO-2006072783-A1 SULFASALAZINE ANALOGUES AS NF-KB INHIBITORS UNIVERSITY OF SOUTHAMPTON (GB) 2006-07-13 WO claimed
US-20080090788-A1 Chemical Compounds UNIVERSITY OF SOUTHAMPTON (GB) 2008-04-17 US disclosed
EP-1835900-A1 SULFASALAZINE ANALOGUES AS NF-KB INHIBITORS UNIVERSITY OF SOUTHAMPTON (GB) 2007-09-26 EP disclosed
WO-2006072783-A1 SULFASALAZINE ANALOGUES AS NF-KB INHIBITORS UNIVERSITY OF SOUTHAMPTON (GB) 2006-07-13 WO disclosed
EP-0613468-B1 Substituted salicylic acids for the treatment of autoimmune diseases PHARMACIA & UPJOHN AB (SE) 2000-07-12 EP disclosed
US-5556855-A TREATMENT OF AUTOIMMUNE DISEASES PHARMACIA AB (SE) 1996-09-17 US disclosed
US-5403930-A Chemical intermediate for drugs used in autoimmune diseases PHARMACIA AB (SE) 1995-04-04 US disclosed
EP-0613468-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS Pharmacia & Upjohn Aktiebolag (SE) 1994-09-07 EP disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed
WO-1993010094-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS KABI PHARMACIA AB (SE) 1993-05-27 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-20080090788-A1 Chemical Compounds NFRKB, NFKB2, NFKBIA SLC7A11 2033/4885TSHR 345/4885MEN1 2768/4885

“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.