SCHEMBL5716707

SCHEMBL5716707

COc1cc(OC)cc(C(O)(c2cc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ PDGFRB P09619 3/20 0.40
▸ PDGFRA P16234 3/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ AHR P35869 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ BCAT1 P54687 2/20 0.38
▸ LMNA P02545 2/20 0.36
▸ PADI4 Q9UM07 1/20 0.35
▸ MEN1 O00255 3/20 0.35

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
SCHEMBL5716660 0.84 KDM4E (0.39) KDM4EFLT3AHRALDH1A1NPSR1
SCHEMBL5716792 0.82 PDGFRB (0.42) KDM4EPDGFRBPDGFRAFLT3ALDH1A1
SCHEMBL5716775 0.81 KDM4E (0.39) KDM4EPDGFRBPDGFRAFLT3AHR
SCHEMBL6860275 0.77 MEN1 (0.43) KDM4EPDGFRBPDGFRAFLT3AHR
SCHEMBL5716711 0.77 AHR (0.48) KDM4EPDGFRBPDGFRAAHRTSHR
2-Methoxybenzaldehyde SCHEMBL7152818 0.75 PDGFRB (0.36) KDM4EPDGFRBPDGFRAFLT3ALDH1A1
SCHEMBL6688305 0.75 ALDH1A1 (0.42) KDM4EPDGFRBPDGFRAFLT3ALDH1A1
SCHEMBL6870520 0.73 FLT3 (0.37) KDM4EFLT3AHRALDH1A1NPSR1
Nicotinaldehyde SCHEMBL7150684 0.70 PADI4 (0.41) AHRALDH1A1CNR1PADI4MEN1
SCHEMBL5692539 0.68 HSD11B1 (0.43) KDM4EAHRALDH1A1TSHRMAPT

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
EP-1276720-B1 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (CH) 2006-12-20 — — EP disclosed
EP-1442015-A1 USE OF 2-ACYLINDOLES IN THE TREATMENT OF TUMORS Baxter Healthcare SA (CH) 2004-08-04 — — EP disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 — — US disclosed
WO-2003037861-A1 USE OF 2-ACYLINDOLES IN THE TREATMENT OF TUMORS BAXTER HEALTHCARE SA (CH) 2003-05-08 — — WO disclosed
EP-1276720-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTA Medica AG (DE) 2003-01-22 — — EP disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 — — US disclosed
WO-2001082909-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (DE) 2001-11-08 — — 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 (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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT KDM4E 2155/4885PDGFRB 3807/4885PDGFRA 3147/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT KDM4E 2155/4885PDGFRB 3807/4885PDGFRA 3147/4885

“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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