SCHEMBL17020103

SCHEMBL17020103

CC(C)(C)OC(=O)N1[C@@H](CSCc2ccccc2)COC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
BRD4 O60885 1/20 0.37
IDO1 P14902 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
STS P08842 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD11B2 P80365 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
CRBN Q96SW2 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL17010192 0.85 CRBN (0.40) SMN1; SMN2GAANPC1RAB9AKDM4E
SCHEMBL6924329 0.83 SPHK1 (0.42) SPHK1KEAP1NFE2L2BRD4GPR119
SCHEMBL14350826 0.83 SPHK1 (0.42) SPHK1KEAP1NFE2L2BRD4GPR119
SCHEMBL14338696 0.83 SPHK1 (0.42) SPHK1KEAP1NFE2L2BRD4GPR119
SCHEMBL16545983 0.82 SPHK1 (0.41) SPHK1BRD4GPR119STSKDM4E
SCHEMBL17819587 0.82 SPHK1 (0.41) SPHK1BRD4GPR119STSKDM4E
SCHEMBL3614064 0.80 KEAP1 (0.41) SMN1; SMN2GAATHRBSPHK1KEAP1
SCHEMBL3614066 0.80 KEAP1 (0.41) SMN1; SMN2GAATHRBSPHK1KEAP1
SCHEMBL1836162 0.80 SPHK1 (0.42) SPHK1PPARABRD4GPR119STS
SCHEMBL13110173 0.80 KEAP1 (0.41) SMN1; SMN2GAATHRBSPHK1KEAP1

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
EP-3104707-B1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE MEDICINE INC (US) 2020-07-15 EP disclosed
US-10294233-B2 Treatment of H. pylori infections using MTAN inhibitors ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2019-05-21 US disclosed
US-20190016730-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2019-01-17 US disclosed
US-20170166571-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-06-15 US disclosed
US-20170166571-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-06-15 US disclosed
WO-2015123101-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-08-20 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 (3 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-20170166571-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS MTAP, PNP, UNG SMN1; SMN2 4567/4885GAA 175/4885THRB 2874/4885
US-10294233-B2 Treatment of H. pylori infections using MTAN inhibitors MTAP, PNP, UNG SMN1; SMN2 4567/4885GAA 175/4885THRB 2874/4885
US-20190016730-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS MTAP, PNP, UNG SMN1; SMN2 4567/4885GAA 175/4885THRB 2874/4885

“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.