SCHEMBL16634735

SCHEMBL16634735

C=CCNC(=O)c1ccccc1S

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.66
CYP1A2 P05177 2/20 0.66
MAPT P10636 2/20 0.57
ALDH1A1 P00352 6/20 0.55
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7978017 0.81 HPGD (0.68) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL5885064 0.81 HPGD (0.68) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL3459359 0.81 CA1 (0.70) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL1561753 0.79 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL7870127 0.79 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL9539900 0.79 ALDH1A1 (0.81) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL461826 0.79 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL4559294 0.79 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL727376 0.78 ALDH1A1 (0.64) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL28618627 0.78 HPGD (0.64) HPGDCYP1A2MAPTALDH1A1TP53

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
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto UNIV EMORY (US) 2021-02-25 US disclosed
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2018-11-08 US disclosed
US-9700881-B2 Heterocyclic coupling catalysts and methods related thereto EMORY UNIVERSITY (US) 2017-07-11 US disclosed
WO-2017070157-A1 REDOX DEHYDRATION COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2017-04-27 WO disclosed
US-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2016-08-25 US disclosed
WO-2015054337-A1 HETEROCYCLIC COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2015-04-16 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-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto HAT1, CBR3, CBR1 HPGD 748/4885CYP1A2 1103/4885MAPT 2015/4885
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SELENOI HPGD 275/4885CYP1A2 834/4885MAPT 3902/4885
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SQOR HPGD 267/4885CYP1A2 901/4885MAPT 3969/4885

“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.