SCHEMBL5861997

SCHEMBL5861997

COC(=O)CC1Cc2ccc(S)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
MIF P14174 6/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP19A1 P11511 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
NR1H2 P55055 1/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 1/20 0.33
MEN1 O00255 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL16706647 0.82 CYP19A1 (0.52) MIFCYP19A1MTNR1AMTNR1BCA1
SCHEMBL1511852 0.80 BRD4 (0.47) BRD4NR1H2MTNR1AMTNR1B
SCHEMBL1472801 0.77 CA1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL5858918 0.76 KMT2A (0.47) BRD4KMT2AMTNR1AMTNR1BCA12
SCHEMBL25887675 0.76 HPGD (0.42) KMT2AMEN1
SCHEMBL5860026 0.74 HRH3 (0.41) MIFHDAC6KMT2AGAAMTNR1A
SCHEMBL2302634 0.72 CYP19A1 (0.51) MIFHDAC6CYP19A1CA1CA2
SCHEMBL7297164 0.72 CYP19A1 (0.51) CYP19A1KMT2AMTNR1AMTNR1BMEN1
SCHEMBL11459078 0.71 ACHE (0.43) BRD4KMT2AGAA
SCHEMBL14207086 0.71 HDAC8 (0.43) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109222-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY, LLC (US) 2006-09-19 US disclosed
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-26 US disclosed
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-19 US disclosed
US-6867224-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY (US) 2005-03-15 US disclosed
EP-1480641-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY (US) 2004-12-01 EP disclosed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074051-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (GB) 2003-09-12 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 (4 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 BRD4 397/4885MIF 1648/4885HDAC6 1224/4885
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG BRD4 524/4885MIF 3317/4885HDAC6 290/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG BRD4 524/4885MIF 3317/4885HDAC6 290/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG BRD4 524/4885MIF 3317/4885HDAC6 290/4885

“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.