SCHEMBL17020101

SCHEMBL17020101

CCCCCC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.61
HSD11B2 P80365 1/20 0.36
BRD4 O60885 1/20 0.35
CES2 O00748 1/20 0.33
HCRTR2 O43614 1/20 0.32
ALDH1A1 P00352 4/20 0.32
S1PR3 Q99500 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
GBA1 P04062 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL18959559 1.00 SPHK1 (0.61) SPHK1HSD11B2BRD4CES2HCRTR2
SCHEMBL16070969 1.00 SPHK1 (0.61) SPHK1HSD11B2BRD4CES2HCRTR2
SCHEMBL9915254 1.00 SPHK1 (0.61) SPHK1HSD11B2BRD4CES2HCRTR2
SCHEMBL18959562 0.99 SPHK1 (0.60) SPHK1HSD11B2BRD4CES2HCRTR2
SCHEMBL16071281 0.95 SPHK1 (0.58) SPHK1HSD11B2BRD4HCRTR2ALDH1A1
SCHEMBL8042623 0.91 SPHK1 (0.53) SPHK1HSD11B2BRD4CES2ALDH1A1
SCHEMBL8054065 0.91 SPHK1 (0.53) SPHK1HSD11B2BRD4CES2ALDH1A1
SCHEMBL16053956 0.90 SPHK1 (0.50) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL10211328 0.89 SPHK1 (0.54) SPHK1HSD11B2BRD4HCRTR2ALDH1A1
SCHEMBL11956427 0.89 SPHK1 (0.54) SPHK1HSD11B2BRD4HCRTR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170166571-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS MTAP, PNP, UNG SPHK1 3541/4885HSD11B2 2863/4885BRD4 3050/4885

“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.