SCHEMBL6089528

SCHEMBL6089528

O=C(O)CSc1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.64
FFAR1 O14842 1/20 0.62
MAOA P21397 1/20 0.49
ALDH1A1 P00352 1/20 0.46
CXCL12 P48061 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CTSB P07858 1/20 0.44
ELANE P08246 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
BCL2 P10415 1/20 0.42
BID P55957 1/20 0.42
BCL2L1 Q07817 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
SCHEMBL11887852 0.86 FFAR1 (0.75) APEX1FFAR1ALDH1A1CXCL12CTSB
SCHEMBL11217165 0.84 SMN1; SMN2 (0.62) APEX1FFAR1MAOAALDH1A1CA1
SCHEMBL11217164 0.84 MAOA (0.47) APEX1FFAR1MAOAALDH1A1CA1
SCHEMBL670378 0.84 MAOA (0.51) APEX1FFAR1MAOAALDH1A1CA1
SCHEMBL507129 0.83 APEX1 (0.53) APEX1FFAR1MAOAALDH1A1CA1
SCHEMBL5447638 0.82 ALDH1A1 (0.51) APEX1FFAR1MAOAALDH1A1CA1
SCHEMBL671195 0.81 MAOA (0.49) APEX1FFAR1MAOAALDH1A1CA1
SCHEMBL677696 0.80 MAOA (0.47) APEX1MAOAALDH1A1CA1CA2
SCHEMBL6191672 0.80 ALDH1A1 (0.67) APEX1FFAR1MAOAALDH1A1CA1
SCHEMBL673059 0.80 MAOA (0.47) APEX1FFAR1MAOAALDH1A1CA1

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
WO-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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 (1 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R APEX1 4546/4885FFAR1 109/4885MAOA 1108/4885

“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.