SCHEMBL20983530

SCHEMBL20983530

COc1cccc(CCN(C(=O)OC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.51
TAS2R14 Q9NYV8 5/20 0.49
PTGER1 P34995 1/20 0.48
STAT5B P51692 1/20 0.47
F2 P00734 1/20 0.47
AOC3 Q16853 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
TP53 P04637 1/20 0.44
MGAT3 Q09327 1/20 0.43
PKM P14618 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
SCHEMBL14327847 0.87 STAT5B (0.49) TAS2R14STAT5BF2ALDH1A1POLB
SCHEMBL14327849 0.86 STAT5B (0.48) TAS2R14STAT5BF2ALDH1A1POLB
SCHEMBL14327848 0.81 STAT5B (0.44) BMP1PTGER1STAT5BF2CA12
SCHEMBL3398503 0.80 BMP1 (0.52) BMP1TAS2R14PTGER1AOC3L3MBTL1
SCHEMBL7067656 0.79 STAT5B (0.44) TAS2R14STAT5BF2ALDH1A1POLB
SCHEMBL14328707 0.78 PSEN1 (0.40) TAS2R14STAT5BPOLBCA12CA1
SCHEMBL6926342 0.78 CA1 (0.45) BMP1STAT5BF2ALDH1A1CA12
SCHEMBL3397090 0.78 ALDH1A1 (0.62) BMP1TAS2R14ALDH1A1CA12CA1
SCHEMBL3010321 0.77 AOC3 (0.56) AOC3
SCHEMBL7063146 0.77 STAT5B (0.47) BMP1TAS2R14STAT5BL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995056-B2 Direct C—H amination and aza-annulation THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-05-04 US disclosed
US-20190152892-A1 DIRECT C-H AMINATION AND AZA-ANNULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-23 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 (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-10995056-B2 Direct C—H amination and aza-annulation AOC3, ALKBH3, AZI2 BMP1 1807/4885TAS2R14 3984/4885PTGER1 4756/4885
US-20190152892-A1 DIRECT C-H AMINATION AND AZA-ANNULATION AOC3, ALKBH3, AZI2 BMP1 1835/4885TAS2R14 3955/4885PTGER1 4762/4885

“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.