SCHEMBL5461877

SCHEMBL5461877

O=C1SC(=Cc2cc(Br)cc(Br)c2O)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NLRP3 Q96P20 2/20 0.47
▸ ALOX5 P09917 1/20 0.44
▸ PIM1 P11309 1/20 0.43
▸ CGAS Q8N884 5/20 0.42
▸ CFTR P13569 2/20 0.41
▸ PTPN1 P18031 3/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ PARK7 Q99497 1/20 0.38

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
SCHEMBL5461873 1.00 MEN1 (0.57) MEN1POLBKMT2ANLRP3ALOX5
SCHEMBL3277109 0.77 AMY1A (0.61) MEN1POLBKMT2ANLRP3ALOX5
SCHEMBL3277107 0.77 AMY1A (0.61) MEN1POLBKMT2ANLRP3ALOX5
SCHEMBL5787549 0.73 NLRP3 (0.64) MEN1POLBKMT2ANLRP3ALOX5
SCHEMBL5787551 0.73 NLRP3 (0.64) MEN1POLBKMT2ANLRP3ALOX5
SCHEMBL5462391 0.71 NLRP3 (0.62) NLRP3PIM1CFTRPTPN1PPARG
SCHEMBL5462396 0.71 NLRP3 (0.62) NLRP3PIM1CFTRPTPN1PPARG
SCHEMBL8689993 0.71 NLRP3 (0.49) NLRP3PIM1CGASPTPN1PPARG
SCHEMBL5460280 0.70 MEN1 (0.60) MEN1POLBKMT2ANLRP3ALOX5
SCHEMBL5460282 0.70 MEN1 (0.60) MEN1POLBKMT2ANLRP3ALOX5

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 — — US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 — — EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 MEN1 2892/4885POLB 3236/4885KMT2A 2948/4885

“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.

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