SCHEMBL19251029

SCHEMBL19251029

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.34
PARP1 P09874 3/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
IDO1 P14902 5/20 0.31
AGXT P21549 3/20 0.31
ALDH1A1 P00352 1/20 0.31
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL19240330 0.80 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL9217580 0.79 GAA (0.41) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL19250945 0.79 CYP1A2 (0.41) PARP1MAOBMAOAALDH1A1
SCHEMBL19251061 0.79 CNR2 (0.41) MAOBIDO1
SCHEMBL19250949 0.79 CA3 (0.41) MAOBMAOA
SCHEMBL19251077 0.77 PTPN7 (0.44) IDO1
SCHEMBL19250951 0.77 CA2 (0.40)
SCHEMBL22425843 0.77 NPC1 (0.37) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL19251355 0.76 CCR5 (0.33) MAOBMAOA
SCHEMBL31172078 0.75 NPC1 (0.37) NPC1TP53PKMRAB9ASMN1; 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 5 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-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 NPC1 3656/4885TP53 24/4885PKM 1020/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 NPC1 3656/4885TP53 24/4885PKM 1020/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 NPC1 3954/4885TP53 24/4885PKM 1186/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 NPC1 3656/4885TP53 24/4885PKM 1020/4885

“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.