SCHEMBL15042273

SCHEMBL15042273

CC1(C)COC(C)(C(=O)O)CO1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL9981013 0.90 FFAR3 (0.41) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL335112 0.87
SCHEMBL948961 0.87
Ethylene SCHEMBL4239138 0.82
Carbamic Acid SCHEMBL25294163 0.80 FFAR3 (0.38) FFAR3MAPK1TP53NFKB1CYP2C19
Ethylamine SCHEMBL21632440 0.76 FFAR3 (0.35) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL9576633 0.72 CHRM2 (0.32)
SCHEMBL877772 0.71 FFAR3 (0.35) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL1829037 0.71 FFAR3 (0.35) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL877771 0.71 FFAR3 (0.35) FFAR3MAPK1TP53NFKB1CYP2C19

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-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Selcia Ltd. (GB) 2017-07-06 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 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 (2 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-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS FFAR3 1701/4885MAPK1 2314/4885TP53 3215/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL FFAR3 3304/4885MAPK1 2959/4885TP53 1393/4885

“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.