SCHEMBL13649253

SCHEMBL13649253

Cc1ccc(S(=O)(=O)OCCCc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.52
CA12 O43570 3/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
PPARG P37231 1/20 0.45
ENPP3 O14638 2/20 0.44
ENPP2 Q13822 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FKBP1A P62942 1/20 0.43
CA2 P00918 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 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
SCHEMBL2567795 0.91 ALDH1A1 (0.47) CA12CA1CA9MEN1KMT2A
SCHEMBL18934371 0.91 ALDH1A1 (0.47) CA12CA1CA9MEN1KMT2A
SCHEMBL8780852 0.89 FKBP1A (0.53) KMT2ASMN1; SMN2FKBP1AALDH1A1MAPT
SCHEMBL18926560 0.87 GAA (0.50) CA12CA1CA9MEN1KMT2A
SCHEMBL18926554 0.85 CA2 (0.53) ENPP1CA12CA1CA9MEN1
SCHEMBL17993333 0.85 ENPP1 (0.60) ENPP1CA12PPARGMEN1KMT2A
SCHEMBL7364532 0.85 CA12 (0.43) ENPP1CA12CA1CA9MEN1
SCHEMBL2333789 0.84 ALDH1A1 (0.51) LMNASMN1; SMN2FKBP1AALDH1A1MAPT
SCHEMBL4793354 0.84 FKBP1A (0.52) CA1MEN1KMT2ASMN1; SMN2FKBP1A
SCHEMBL7723972 0.84 CNR2 (0.54) MEN1KMT2ALMNAFKBP1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 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-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 ENPP1 2431/4885CA12 4107/4885CA1 4823/4885

“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.