SCHEMBL5041863

SCHEMBL5041863

CC(C)(O)Cc1ccc(CC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.54
CAMK2A Q9UQM7 1/20 0.54
AKR1B1 P15121 1/20 0.52
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ABCC4 O15439 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
KLKB1 P03952 1/20 0.47
CTSB P07858 1/20 0.47
NR1H4 Q96RI1 3/20 0.46
EPHX2 P34913 1/20 0.46
FFAR1 O14842 1/20 0.46

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
SCHEMBL11432562 0.85 CA2 (0.56) CA2CAMK2AAKR1B1RXRARXRB
SCHEMBL11433162 0.85 CA2 (0.56) CA2CAMK2AAKR1B1RXRARXRB
SCHEMBL9244144 0.85 ESR1 (0.56) CA2CAMK2AAKR1B1RXRARXRB
SCHEMBL1561003 0.81 CYP1A2 (0.55) AKR1B1RXRARXRBRXRGALDH1A1
SCHEMBL7717654 0.80 ALDH1A1 (0.56) CA2CAMK2AAKR1B1RXRARXRB
SCHEMBL12491968 0.79 ALDH1A1 (0.57) RXRARXRBRXRGALDH1A1GAA
SCHEMBL1061936 0.79 RXRA (0.56) CA2CAMK2AAKR1B1RXRARXRB
SCHEMBL69614 0.79 CA2 (0.79) CA2CAMK2AAKR1B1ALDH1A1LMNA
SCHEMBL1078753 0.77 ALDH1A1 (0.53) CA2CAMK2AAKR1B1RXRARXRB
SCHEMBL12225439 0.77 CA2 (0.52) CA2CAMK2AAKR1B1RXRARXRB

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-7351742-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC. (US) 2008-04-01 US disclosed
US-7351742-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC. (US) 2008-04-01 US disclosed
US-7351742-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC. (US) 2008-04-01 US disclosed
EP-1708992-B1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2007-08-08 EP disclosed
EP-1708992-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-10-11 EP disclosed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed
US-20050171147-A1 Sulfonamide derivatives for the treatment of diseases PFIZER INC. 2005-08-04 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 (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-20050171147-A1 Sulfonamide derivatives for the treatment of diseases SULT2A1, STS, SULT1A1 CA2 387/4885CAMK2A 4451/4885AKR1B1 168/4885

“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.