SCHEMBL4438844

SCHEMBL4438844

COc1ccc2cc(Br)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2A6 P11509 1/20 0.45
PDK1 Q15118 1/20 0.45
BACE1 P56817 1/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
PSMB8 P28062 1/20 0.43
OPRD1 P41143 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 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
SCHEMBL29771048 1.00 CA2 (0.54) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL29239834 0.80 CA2 (0.57) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL8694638 0.78 CA2 (0.56) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL144455 0.78 CA2 (0.56) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL12675254 0.77 CA2 (0.54) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL8602480 0.77 CA2 (0.54) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL5542989 0.77 CA2 (0.54) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL1107212 0.77 BACE1 (0.73) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL205800 0.76 HDAC6 (0.48) CA2MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL5243924 0.74 CA2 (0.51) CA2CYP1A2CYP3A4CYP2C19CYP2A6

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-12018019-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2020-03-31 US disclosed
US-20090286863-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-11-19 US disclosed
US-20090286863-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-11-19 US disclosed
US-7476691-B2 Sulfamate benzothiophene derivatives as steroid sulfatase inhibitors LABORATOIRE THERAMEX (MC) 2009-01-13 US disclosed
US-7476691-B2 Sulfamate benzothiophene derivatives as steroid sulfatase inhibitors LABORATOIRE THERAMEX (MC) 2009-01-13 US disclosed
WO-2008003378-A1 SULFAMATE BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-01-10 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 (3 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-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ADRM1, MDM2, ESR2 CA2 3519/4885CYP1A2 3656/4885CYP3A4 4408/4885
US-12018019-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 CA2 2407/4885CYP1A2 718/4885CYP3A4 977/4885
US-20090286863-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES SULT1A1, SULT1E1, SULT2A1 CA2 1619/4885CYP1A2 107/4885CYP3A4 146/4885

“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.