SCHEMBL3233200

SCHEMBL3233200

Cc1ccc([S+]([O-])CC(=O)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
CES1 P23141 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CES2 O00748 3/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
PTPN1 P18031 1/20 0.32
ACHE P22303 1/20 0.32
PLOD2 O00469 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL9457024 0.78 KMT2A (0.41) CES1MEN1KMT2ACES2ALDH1A1
SCHEMBL9456919 0.78 KMT2A (0.41) CES1MEN1KMT2ACES2ALDH1A1
SCHEMBL254515 0.78 ALDH1A1 (0.37) CES1MEN1KMT2AHTTNPSR1
SCHEMBL9456923 0.78 KMT2A (0.41) CES1MEN1KMT2ACES2ALDH1A1
SCHEMBL30929941 0.78 KMT2A (0.41) CES1MEN1KMT2ACES2ALDH1A1
SCHEMBL9843698 0.77 ALDH1A1 (0.33) CES1MEN1KMT2AHTTNPSR1
SCHEMBL9843695 0.77 ALDH1A1 (0.33) CES1MEN1KMT2AHTTNPSR1
SCHEMBL255114 0.77 ALDH1A1 (0.33) CES1MEN1KMT2AHTTNPSR1
SCHEMBL254952 0.76 ALDH1A1 (0.32) CES1MEN1KMT2ANPSR1MAPT
SCHEMBL6566613 0.74 ACHE (0.32) ACHE

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
WO-2017004609-A1 THIADIAZOLE MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO disclosed
US-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 US disclosed
US-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 US disclosed
US-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 US disclosed
EP-2136811-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP disclosed
WO-2008124745-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO disclosed
WO-2008124745-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 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-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, MC2R, NR3C2 CA2 1886/4885CES1 1527/4885MEN1 926/4885

“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.