SCHEMBL8068359

SCHEMBL8068359

O=C(O)c1cc(/C=C/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 4/20 1.00
LMNA P02545 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
ABCC3 O15438 1/20 0.70
ABCC4 O15439 1/20 0.70
USP2 O75604 1/20 0.70
SLCO2B1 O94956 1/20 0.70
ALDH1A1 P00352 1/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
MMP1 P03956 1/20 0.70
ABCB1 P08183 1/20 0.70
MAPT P10636 1/20 0.70
CYP2C9 P11712 1/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70
NFKB1 P19838 1/20 0.70
TBXAS1 P24557 1/20 0.70
MAPK1 P28482 1/20 0.70

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
SCHEMBL8067761 1.00 SLC7A11 (1.00) SLC7A11LMNAMEN1KMT2AABCC3
SCHEMBL8069397 0.88 SLC7A11 (0.79) SLC7A11LMNAMEN1KMT2AABCC3
SCHEMBL8069398 0.88 SLC7A11 (0.79) SLC7A11LMNAMEN1KMT2AABCC3
SCHEMBL8069199 0.88 SLC7A11 (0.78) SLC7A11LMNAMEN1KMT2AABCC3
SCHEMBL8069200 0.88 SLC7A11 (0.78) SLC7A11LMNAMEN1KMT2AABCC3
SCHEMBL8071847 0.86 SLC7A11 (0.75) SLC7A11LMNAMEN1KMT2AABCC3
SCHEMBL8071849 0.86 SLC7A11 (0.75) SLC7A11LMNAMEN1KMT2AABCC3
SCHEMBL30758844 0.85 SLC7A11 (0.74) SLC7A11LMNAMEN1KMT2AABCC3
SCHEMBL29759524 0.83 SLC7A11 (0.71) SLC7A11MEN1KMT2AALDH1A1TSHR
Sulfapyridine SCHEMBL10336229 0.83 SLC7A11 (0.71) SLC7A11LMNAMEN1KMT2AABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-03-06 US 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-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION NFKBIA, NFKB2, IKBKG SLC7A11 4544/4885LMNA 3200/4885MEN1 3799/4885

“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.