SCHEMBL18474249

SCHEMBL18474249

COc1ccc(SC(C)=O)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43

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
SCHEMBL31260836 0.81 HTT (0.40) NPC1ALDH1A1MAPTKMT2AMEN1
SCHEMBL30138984 0.78 ERN1 (0.56) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL18469633 0.78 HDAC3 (0.48) NPC1ALDH1A1MAPTKMT2AHTT
SCHEMBL31535955 0.77 AR (0.43) ALDH1A1MAPTKMT2AMEN1
SCHEMBL17744978 0.77 HSD17B10 (0.40) CA12CA1CA2CA7CA9
SCHEMBL5047710 0.76 ALDH1A1 (0.51) NPC1ALDH1A1MAPTKMT2AMEN1
SCHEMBL10509697 0.76 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL3511278 0.75 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL18469632 0.75 THRA (0.44) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL28231700 0.73 CA12 (0.47) CA12CA1CA2CA7CA9

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-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-05-02 US disclosed
US-10179175-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-01-15 US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 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-10179175-B2 Isatoic anhydride derivatives and applications thereof AASDHPPT, CA13, CA12 CA12 3/4885CA1 4/4885CA2 10/4885
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 CA12 3/4885CA1 4/4885CA2 10/4885
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 CA12 3/4885CA1 4/4885CA2 10/4885
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 CA12 3/4885CA1 4/4885CA2 10/4885

“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.