SCHEMBL19475110

SCHEMBL19475110

Nc1sc2c(c1C(=O)O)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
KMT2A Q03164 3/20 0.72
GAA P10253 3/20 0.72
MEN1 O00255 2/20 0.72
ALDH1A1 P00352 2/20 0.72
HPGD P15428 1/20 0.72
ALOX15 P16050 1/20 0.72
HSD17B10 Q99714 1/20 0.72
ADORA1 P30542 10/20 0.64
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
PDE4D Q08499 1/20 0.52
KDM4E B2RXH2 3/20 0.51
RAD52 P43351 1/20 0.51
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
PTGDR2 Q9Y5Y4 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
SCHEMBL5503933 0.91 MAPT (0.70) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL5712810 0.88 MAPT (0.65) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL5712873 0.87 MEN1 (0.64) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL5506679 0.87 KMT2A (0.64) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL6992785 0.86 MAPT (0.63) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL6998940 0.86 MEN1 (0.63) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL7001450 0.84 KMT2A (0.61) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL6994209 0.84 MAPT (0.60) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL6321146 0.82 PTPN1 (0.67) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL5258265 0.81 ADORA1 (0.67) MAPTKMT2AGAAMEN1ALDH1A1

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-10647725-B2 Anti-infective 2-aminothiophenes THE UNIVERSITY OF TOLEDO (US) 2020-05-12 US disclosed
US-20190119296-A1 Anti-Infective 2-Aminothiophenes THE UNIVERSITY OF TOLEDO (US) 2019-04-25 US disclosed
WO-2017184947-A1 ANTI-INFECTIVE 2-AMINOTHIOPHENES THE UNIVERSITY OF TOLEDO (US) 2017-10-26 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 (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-20190119296-A1 Anti-Infective 2-Aminothiophenes TST, ABAT, TPMT MAPT 1615/4885KMT2A 1592/4885GAA 2551/4885
US-10647725-B2 Anti-infective 2-aminothiophenes TST, ABAT, TPMT MAPT 1615/4885KMT2A 1592/4885GAA 2551/4885

“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.