SCHEMBL3817347

SCHEMBL3817347

CCC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.53
MAPT P10636 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 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
SCHEMBL3249973 0.86 CA12 (0.65) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL6475815 0.85 MEN1 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL881308 0.85 CA12 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL155819 0.84 NPC1 (0.68) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2934710 0.83 MAPT (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL31238876 0.83 MAPT (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1023633 0.82 PPARG (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6472219 0.82 MEN1 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL515746 0.81 MEN1 (0.73) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29578705 0.81 MEN1 (0.73) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951217-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP disclosed
US-20080234199-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
EP-1951217-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062148-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20080234199-A1 Chemical Compounds GPER1, ESR2, ESR1 MEN1 2060/4885KMT2A 1916/4885SMN1; SMN2 4837/4885

“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.