SCHEMBL124295

SCHEMBL124295

C=CCOc1cc(OC)ccc1S(=O)(=O)OCl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.48
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 4/20 0.37
CYP2D6 P10635 1/20 0.37
MAOB P27338 2/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
CYP19A1 P11511 1/20 0.35
RAPGEF3 O95398 1/20 0.35

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
SCHEMBL150262 0.86 FLT3 (0.50) FLT3CA12CA1CA2CA7
SCHEMBL124810 0.83 FLT3 (0.53) FLT3CA12CA1CA2CA7
SCHEMBL10157278 0.78 FLT3 (0.52) FLT3CA12CA1CA2CA7
SCHEMBL13384225 0.74 FLT3 (0.62) FLT3ALDH1A1KDM4EGAAMAPT
SCHEMBL10848792 0.73 FLT3 (0.64) FLT3ALDH1A1KDM4EGAAMAPT
SCHEMBL14236452 0.73 FLT3 (0.53) FLT3CA12CA1CA2CA7
SCHEMBL147014 0.73 TRPV4 (0.43) FLT3ALDH1A1KDM4EGAAMAPT
SCHEMBL3340189 0.73 ALDH1A1 (0.65) FLT3ALDH1A1KDM4EGAAMAPT
SCHEMBL9067995 0.72 FLT3 (0.56) FLT3CA12CA1CA2CA7
SCHEMBL3954097 0.72 ALDH1A1 (0.58) FLT3CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921349-B2 Compounds and methods for treating AIDS and HIV infections PURDUE RESEARCH FOUNDATION (US) 2014-12-30 US disclosed
US-20120059161-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS PURDUE RESEARCH FOUNDATION (US) 2012-03-08 US 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-20120059161-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS CTSS, DNPEP, PEPD FLT3 2316/4885CA12 483/4885CA1 340/4885

“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.