SCHEMBL20988271

SCHEMBL20988271

CCOC(=O)C1CCCN(SI)C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TLR4 O00206 1/20 0.41
ALDH1A1 P00352 13/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL23228558 0.81 MEN1 (0.46) MEN1KMT2ATLR4ALDH1A1SMN1; SMN2
SCHEMBL16609900 0.79 MEN1 (0.47) MEN1KMT2ATLR4ALDH1A1SMN1; SMN2
SCHEMBL20988214 0.78 MEN1 (0.46) MEN1KMT2ATLR4ALDH1A1SMN1; SMN2
SCHEMBL15427994 0.78 MEN1 (0.49) MEN1KMT2ATLR4ALDH1A1SMN1; SMN2
SCHEMBL940891 0.75 KMT2A (0.47) MEN1KMT2ATLR4ALDH1A1SMN1; SMN2
SCHEMBL12988948 0.72 TLR4 (0.42) MEN1KMT2ATLR4ALDH1A1SMN1; SMN2
SCHEMBL15325151 0.72 TLR4 (0.42) MEN1KMT2ATLR4ALDH1A1SMN1; SMN2
SCHEMBL3913430 0.72 MEN1 (0.52) MEN1KMT2ATLR4ALDH1A1SMN1; SMN2
SCHEMBL20980058 0.72 TLR4 (0.41) MEN1KMT2ATLR4ALDH1A1SMN1; SMN2
SCHEMBL20955890 0.71 MAPT (0.43) MEN1KMT2ATLR4ALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-08-18 US disclosed
US-20200048201-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-02-13 US disclosed
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-23 US disclosed
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-05-09 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-20200048201-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A MEN1 273/4885KMT2A 1584/4885TLR4 4238/4885
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A MEN1 273/4885KMT2A 1584/4885TLR4 4238/4885
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A MEN1 273/4885KMT2A 1584/4885TLR4 4238/4885
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A MEN1 273/4885KMT2A 1584/4885TLR4 4238/4885

“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.