SCHEMBL4075622

SCHEMBL4075622

Cc1ccc(S(=O)(=O)OCCCc2ccc(-c3cc(S(=O)(=O)O)ccc3C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.38
FKBP1A P62942 5/20 0.38
CYP2D6 P10635 1/20 0.36
FDFT1 P37268 1/20 0.36
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
SNCA P37840 1/20 0.34
CYP1A2 P05177 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL4075625 0.82 CYP2D6 (0.44) PSMD10FKBP1ACYP2D6CYP1A2CTDSP1
SCHEMBL2567795 0.81 ALDH1A1 (0.47) PSMD10FKBP1AFDFT1CTDSP1CA12
SCHEMBL18934371 0.81 ALDH1A1 (0.47) PSMD10FKBP1AFDFT1CTDSP1CA12
SCHEMBL3883369 0.80 SNCA (0.49) SNCACYP1A2CA12CA1CA9
SCHEMBL23628717 0.78 CYP2D6 (0.46) PSMD10FKBP1ACYP2D6CYP1A2CTDSP1
SCHEMBL21820301 0.78 CYP2D6 (0.46) PSMD10FKBP1ACYP2D6CYP1A2CTDSP1
SCHEMBL10557145 0.78 CNR2 (0.46) PSMD10FDFT1
SCHEMBL18926560 0.77 GAA (0.50) PSMD10FKBP1ACTDSP1CA12CA1
SCHEMBL29068583 0.76 PTGS2 (0.40) CYP1A2CA12CA1CA9ALDH1A1
SCHEMBL18926554 0.76 CA2 (0.53) PSMD10CYP2D6CA12CA1CA9

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-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
EP-1453795-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2004-09-08 EP disclosed
US-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2003-12-11 US disclosed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 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-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, PCSK9 PSMD10 1976/4885FKBP1A 1355/4885CYP2D6 154/4885
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 PSMD10 2038/4885FKBP1A 1409/4885CYP2D6 118/4885

“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.