SCHEMBL19251202

SCHEMBL19251202

COc1cc(COC(C)(C)S)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.56
LOX P28300 2/20 0.56
FFAR1 O14842 1/20 0.35
SLC13A5 Q86YT5 1/20 0.34
ENPP2 Q13822 1/20 0.34
MMP12 P39900 1/20 0.34
CHRM1 P11229 1/20 0.34
CCR9 P51686 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
NUDT1 P36639 1/20 0.32
GRM2 Q14416 1/20 0.32
CDK4 P11802 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
SCHEMBL19251359 0.87 LOXL2 (0.59) LOXL2LOXFFAR1SLC13A5ENPP2
SCHEMBL19251200 0.83 LOXL2 (0.54) LOXL2LOXFFAR1SLC13A5ENPP2
SCHEMBL2092744 0.79 LOXL2 (0.67) LOXL2LOXFFAR1SLC13A5ENPP2
SCHEMBL19251203 0.79 NOS3 (0.53) LOXL2LOXAAK1NPC1NUDT1
SCHEMBL13028811 0.78 LOXL2 (0.65) LOXL2LOXFFAR1SLC13A5CHRM1
SCHEMBL4379060 0.76 LOXL2 (0.68) LOXL2LOX
SCHEMBL2092739 0.76 LOXL2 (0.62) LOXL2LOXFFAR1SLC13A5ENPP2
SCHEMBL21227110 0.75 LOXL2 (0.61) LOXL2LOXFFAR1SLC13A5CHRM1
SCHEMBL4018107 0.73 LOXL2 (0.59) LOXL2LOXFFAR1SLC13A5ENPP2
SCHEMBL805488 0.73 LOXL2 (0.69) LOXL2LOXFFAR1SLC13A5GSK3A

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-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 LOXL2 4120/4885LOX 3053/4885FFAR1 4310/4885

“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.