SCHEMBL4174422

SCHEMBL4174422

COc1cc(NCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
F2 P00734 1/20 0.35
THRB P10828 1/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CES1 P23141 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8239232 0.92 NPSR1 (0.42) PPARGKMT2ANPSR1TDP1F2
Hydrochloric Acid SCHEMBL9598758 0.91 NPSR1 (0.41) PPARGKMT2ANPSR1TDP1F2
SCHEMBL4175369 0.91 F2 (0.42) PPARGKMT2ANPSR1F2TSHR
SCHEMBL13940140 0.88 KMT2A (0.39) KMT2ANPSR1BRD4TDP1TSHR
SCHEMBL9157509 0.82 CYP3A4 (0.50) KMT2ANPSR1TDP1TSHRLMNA
SCHEMBL9603542 0.82 HTR6 (0.47) KMT2ANPSR1TDP1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL9655914 0.82 CYP3A4 (0.49) KMT2ANPSR1TDP1TSHRLMNA
SCHEMBL4162892 0.81 MAPT (0.44) KMT2ANPSR1TDP1TSHRLMNA
SCHEMBL6451740 0.81 MAPT (0.44) PPARGNPSR1TDP1TSHRLMNA
SCHEMBL8236467 0.81 POLB (0.39) KMT2ATDP1TSHRHTTSMN1; SMN2

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
US-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production ROSKAMP RESEARCH LLC (US) 2009-01-15 US disclosed
EP-1993548-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION Roskamp Research LLC (US) 2008-11-26 EP disclosed
WO-2007103683-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ROSKAMP RESEARCH LLC (US) 2007-09-13 WO disclosed
WO-2007103683-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ROSKAMP RESEARCH LLC (US) 2007-09-13 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-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production PSEN1, PSEN2, APP PPARG 1742/4885KMT2A 4404/4885NPSR1 2448/4885

“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.