SCHEMBL4075625

SCHEMBL4075625

Cc1ccc(S(=O)(=O)OCCCc2ccc(Cc3ccc(S(=O)(=O)O)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
PSMD10 O75832 1/20 0.43
FKBP1A P62942 4/20 0.42
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
ENPP1 P22413 1/20 0.37
CNR2 P34972 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL18934371 0.89 ALDH1A1 (0.47) PSMD10FKBP1ACYP2C9ALDH1A1KMT2A
SCHEMBL2567795 0.89 ALDH1A1 (0.47) PSMD10FKBP1ACYP2C9ALDH1A1KMT2A
SCHEMBL23628717 0.88 CYP2D6 (0.46) CYP2D6PSMD10FKBP1ACYP2C9CYP1A2
SCHEMBL21820301 0.88 CYP2D6 (0.46) CYP2D6PSMD10FKBP1ACYP2C9CYP1A2
SCHEMBL18926560 0.84 GAA (0.50) PSMD10FKBP1ACYP2C9ALDH1A1KMT2A
SCHEMBL23716644 0.84 CYP2D6 (0.45) CYP2D6PSMD10FKBP1ACYP2C9CYP1A2
SCHEMBL18926554 0.83 CA2 (0.53) CYP2D6PSMD10CYP2C9ALDH1A1KMT2A
SCHEMBL4075622 0.82 PSMD10 (0.38) CYP2D6PSMD10FKBP1ACYP2C9CYP1A2
SCHEMBL4793354 0.82 FKBP1A (0.52) PSMD10FKBP1ACYP2C9ALDH1A1KMT2A
SCHEMBL7723972 0.82 CNR2 (0.54) CYP2D6PSMD10FKBP1ACYP2C9ALDH1A1

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 CYP2D6 154/4885PSMD10 1976/4885FKBP1A 1355/4885
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 CYP2D6 118/4885PSMD10 2038/4885FKBP1A 1409/4885

“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.