SCHEMBL19251061

SCHEMBL19251061

CC(C)(C)OCc1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
MAOB P27338 1/20 0.39
IDO1 P14902 4/20 0.39
SLC6A4 P31645 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PIK3CA P42336 1/20 0.38
HTT P42858 1/20 0.36
RPA1 P27694 1/20 0.36
HTR2A P28223 2/20 0.36
KCNH2 Q12809 2/20 0.36
SOS1 Q07889 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
DAO P14920 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM4 Q14833 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
SCHEMBL20288219 0.85 CNR2 (0.39) CNR2MAOBIDO1SLC6A4PIK3CA
SCHEMBL18213811 0.83 IDO1 (0.57) IDO1MEN1MAPTKMT2A
SCHEMBL20288213 0.82 SLC6A4 (0.38) CNR2MAOBIDO1SLC6A4PIK3CA
SCHEMBL19240327 0.80 IDO1 (0.40) IDO1SLC6A4HTR2AKCNH2KDM5A
SCHEMBL16960654 0.79 PTGDR2 (0.43) MAOBIDO1SLC6A4MRGPRX4PIK3CA
SCHEMBL19250949 0.79 CA3 (0.41) MAOBKCNH2
SCHEMBL19251029 0.79 NPC1 (0.37) MAOBIDO1
SCHEMBL19250945 0.79 CYP1A2 (0.41) MAOBMRGPRX4MEN1MAPTKMT2A
SCHEMBL19251077 0.77 PTPN7 (0.44) IDO1SLC6A4
SCHEMBL19250951 0.77 CA2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
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 (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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CNR2 3414/4885MAOB 2862/4885IDO1 1909/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CNR2 3414/4885MAOB 2862/4885IDO1 1909/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CNR2 3154/4885MAOB 3113/4885IDO1 1775/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 CNR2 3414/4885MAOB 2862/4885IDO1 1909/4885

“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.