SCHEMBL20656346

SCHEMBL20656346

NS(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.48
TSHR P16473 2/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL776935 0.81 TSHR (0.52) IDO1AGXTTSHRCA1CA2
SCHEMBL3704561 0.77 TSHR (0.48) IDO1AGXTTSHRCA1CA2
SCHEMBL7701590 0.77 TSHR (0.48) IDO1AGXTTSHRCA1CA2
SCHEMBL10692401 0.77 TSHR (0.48) IDO1AGXTTSHRCA1CA2
Ammonia Solution, Strong SCHEMBL8697956 0.76 TSHR (0.46) IDO1AGXTTSHRCA1CA2
SCHEMBL9556453 0.76 TSHR (0.46) IDO1AGXTTSHRCA1CA2
SCHEMBL28324315 0.76 TSHR (0.46) IDO1AGXTTSHRCA1CA2
SCHEMBL4344980 0.74 TSHR (0.44) IDO1AGXTTSHRCA1CA2
SCHEMBL28652165 0.72 TSHR (0.43) IDO1AGXTTSHRCA1CA2
SCHEMBL28539572 0.72 TSHR (0.43) IDO1AGXTTSHRCA1CA2

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-20210047311-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2021-02-18 US disclosed
US-10894052-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-01-19 US disclosed
US-20190282584-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2019-09-19 US disclosed
US-10392376-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-08-27 US disclosed
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2019-01-17 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 (5 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-10894052-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 IDO1 2804/4885AGXT 1536/4885TSHR 3202/4885
US-20190282584-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 IDO1 2804/4885AGXT 1536/4885TSHR 3202/4885
US-10392376-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 IDO1 2741/4885AGXT 1512/4885TSHR 3515/4885
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 IDO1 2741/4885AGXT 1512/4885TSHR 3515/4885
US-20210047311-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 IDO1 2741/4885AGXT 1512/4885TSHR 3515/4885

“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.