SCHEMBL829751

SCHEMBL829751

CCOC(=O)C1OC1c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
BRD4 O60885 2/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ADORA2B P29275 1/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 6/20 0.45
MAPT P10636 1/20 0.45
CACNA1D Q01668 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL829750 1.00 TSHR (0.60) TSHRBRD4PKMALDH1A1KMT2A
SCHEMBL829752 1.00 TSHR (0.60) TSHRBRD4PKMALDH1A1KMT2A
SCHEMBL835910 1.00 TSHR (0.60) TSHRBRD4PKMALDH1A1KMT2A
SCHEMBL28849555 0.76 DAO (0.41) BRD4ALDH1A1KMT2AMEN1KDM4E
SCHEMBL111475 0.76 TSHR (1.00) TSHRPKMALDH1A1KMT2AMEN1
SCHEMBL14393160 0.76 TSHR (1.00) TSHRPKMALDH1A1KMT2AMEN1
SCHEMBL8746347 0.76 TSHR (1.00) TSHRPKMALDH1A1KMT2AMEN1
SCHEMBL14365934 0.76 TSHR (1.00) TSHRPKMALDH1A1KMT2AMEN1
SCHEMBL3201023 0.76 TSHR (1.00) TSHRPKMALDH1A1KMT2AMEN1
SCHEMBL8875725 0.76 TSHR (1.00) TSHRPKMALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 US disclosed
WO-2008046232-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION YUDIN ANDREI K (CA) 2008-04-24 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-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION QDPR, VIP, AAAS TSHR 3191/4885BRD4 3532/4885PKM 2262/4885

“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.