SCHEMBL21596821

SCHEMBL21596821

CCc1ccc(OC)c(S(=O)(=O)N(OCc2ccc(OC)cc2OC)c2noc3c(C(=O)OC)cccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ KAT7 O95251 2/20 0.33
▸ KAT6B Q8WYB5 2/20 0.33
▸ KAT6A Q92794 2/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ KAT5 Q92993 1/20 0.33

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
SCHEMBL31605552 1.00 MAPT (0.38) MAPTTSHRALDH1A1KMT2AHSD17B10
SCHEMBL21596872 0.93 GALR3 (0.38) MAPTTSHRALDH1A1KMT2AHSD17B10
SCHEMBL29652519 0.93 GALR3 (0.38) MAPTTSHRALDH1A1KMT2AHSD17B10
SCHEMBL21596809 0.88 MAPT (0.36) MAPTTSHRALDH1A1KMT2AHSD17B10
SCHEMBL29652454 0.88 MAPT (0.36) MAPTTSHRALDH1A1KMT2AHSD17B10
SCHEMBL28906747 0.86 ALDH1A1 (0.32) MAPTTSHRALDH1A1KMT2AHSD17B10
SCHEMBL29652522 0.86 ALDH1A1 (0.32) MAPTTSHRALDH1A1KMT2AHSD17B10
SCHEMBL28507830 0.86 KAT7 (0.33) MAPTTSHRALDH1A1KMT2AHSD17B10
SCHEMBL29652540 0.86 KAT7 (0.33) MAPTTSHRALDH1A1KMT2AHSD17B10
SCHEMBL29652513 0.82 CCNA2 (0.36) KDM4EKAT7KAT6BKAT6AKAT5

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-4335439-A2 COMPOUNDS CTXT PTY LTD (AU) 2024-03-13 — — EP disclosed
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 — — EP disclosed
US-20220153710-A1 Compounds CTXT PTY LTD (AU) 2022-05-19 — — US disclosed
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 — — EP disclosed
US-20200039945-A1 Compounds CTXT PTY LIMITED (AU) 2020-02-06 — — US disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 — — WO disclosed
US-20160207949-A1 NOVEL CYTOTOXIC AGENTS FOR CONJUGATION TO A CELL BINDING MOLECULE HANGZHOU DAC BIOTECH CO., LTD (CN) 2016-07-21 — — 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 (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-20220153710-A1 Compounds SLC10A1, ABCB11, PCSK9 MAPT 1135/4885TSHR 3584/4885ALDH1A1 981/4885
US-20200039945-A1 Compounds SLC10A1, ABCB11, PCSK9 MAPT 1136/4885TSHR 3583/4885ALDH1A1 982/4885
US-20160207949-A1 NOVEL CYTOTOXIC AGENTS FOR CONJUGATION TO A CELL BINDING MOLECULE PDCD5, CD4, PDCD6 MAPT 4035/4885TSHR 1121/4885ALDH1A1 1947/4885

“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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