SCHEMBL23927277

SCHEMBL23927277

O=C(NC(CSCC(NC(=O)OCc1ccccc1)C(=O)O)C(=O)O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.73
PPARG P37231 2/20 0.73
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
CTSK P43235 3/20 0.54
TACR1 P25103 2/20 0.54
CTRB1 P17538 2/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53

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
SCHEMBL1285732 0.93 PPARA (0.84) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL27533323 0.93 PPARA (0.84) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL8584085 0.93 PPARA (0.68) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL11185687 0.92 PPARA (0.64) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL6835795 0.91 PPARA (0.65) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL7354938 0.91 PPARA (0.65) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL2748240 0.91 PPARA (0.65) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL6835796 0.91 PPARA (0.65) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL21957908 0.90 PPARA (0.65) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL21957907 0.90 PPARA (0.65) PPARAPPARGHDAC3HDAC4HDAC1

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
EP-4139281-B1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES UNIV HEIDELBERG (DE) 2024-05-08 EP disclosed
US-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2023-05-18 US disclosed
EP-4139281-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2023-03-01 EP disclosed
WO-2021214243-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2021-10-28 WO disclosed
EP-3901135-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2021-10-27 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-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES TST, CBS, CTH PPARA 3827/4885PPARG 3850/4885HDAC3 2812/4885

“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.