SCHEMBL11749643

SCHEMBL11749643

CC(C)(C)c1cccc(C(=O)CBr)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.70
GSK3B P49841 5/20 0.52
PTPN1 P18031 4/20 0.52
CYP26A1 O43174 1/20 0.51
CYP26B1 Q9NR63 1/20 0.51
NR1H4 Q96RI1 1/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 2/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.42
CES2 O00748 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
SCHEMBL30479628 1.00 ACHE (0.70) ACHEGSK3BPTPN1CYP26A1CYP26B1
SCHEMBL7218374 0.84 ACHE (0.72) ACHECYP26A1CYP26B1NR1H4HDAC8
SCHEMBL6581884 0.84 ACHE (0.72) ACHECYP26A1CYP26B1NR1H4HDAC8
SCHEMBL1725346 0.82 ACHE (0.53) ACHEGSK3BPTPN1KMT2ACES2
SCHEMBL40175 0.82 CES2 (0.65) ACHEGSK3BPTPN1KMT2ACES2
Methane SCHEMBL377242 0.82 ACHE (0.70) ACHECYP26A1CYP26B1NR1H4HDAC8
SCHEMBL29742875 0.82 CES2 (0.65) ACHEGSK3BPTPN1KMT2ACES2
SCHEMBL1927936 0.81 GSK3B (0.46) ACHEGSK3BPTPN1HDAC6RXRA
SCHEMBL16775747 0.81 ACHE (0.68) ACHECYP26A1CYP26B1NR1H4HDAC8
SCHEMBL9409741 0.80 GSK3B (0.70) GSK3BPTPN1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2022-01-06 US disclosed
EP-3556755-B1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES UNIV MASARYKOVA (CZ) 2021-11-17 EP disclosed
EP-3556755-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES Masarykova univerzita (CZ) 2019-10-23 EP disclosed
US-4033978-A Thiacycl[2.2.2]azine carboxylic acids SYNTEX (U.S.A.) INC. (US) 1977-07-05 US disclosed
US-3965181-A Tricyclic pharmacological agents, intermediates and methods of making SYNTEX (U.S.A.) INC. (US) 1976-06-22 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-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases RNASEH1, DNASE1, FEN1 ACHE 2428/4885GSK3B 3281/4885PTPN1 3966/4885
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES RNASEH1, DNASE1, FEN1 ACHE 2428/4885GSK3B 3281/4885PTPN1 3966/4885

“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.