SCHEMBL6414798

SCHEMBL6414798

CC(=O)C1=C(O)CC(C)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 15/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAOB P27338 6/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL18940252 0.74 KAT2A (0.33) MAOAMAPT
SCHEMBL7401281 0.74 SMN1; SMN2 (0.46) MAOASMN1; SMN2MAOBKDM4EPOLB
SCHEMBL18919585 0.70 CYP1A2 (0.44) POLBMAPT
SCHEMBL18919582 0.70 CYP1A2 (0.44) POLBMAPT
SCHEMBL8693083 0.69 KDM4E (0.36) KDM4EMAPT
SCHEMBL9404385 0.69 KDM4E (0.36) KDM4EMAPT
SCHEMBL9154006 0.65 PSMD14 (0.36) —
SCHEMBL160885 0.65 — —
SCHEMBL13925646 0.64 MAOA (0.57) MAOAMAOBKDM4EPOLBMAPT
SCHEMBL17356820 0.63 PTPN1 (0.38) MAOASMN1; SMN2MAOBMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62250046-A — — None — — JP disclosed
US-6861419-B2 Substituted 1, 4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-03-01 — — US disclosed
EP-1324993-A2 SUBSTITUTED 1,4-THIAZEPINE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2003-07-09 — — EP disclosed
US-20020010169-A1 Substituted 1, 4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-01-24 — — US disclosed
WO-2001079187-A2 SUBSTITUTED 1,4-THIAZEPINE AND ANALOGS AND THEIR USE AS ACTIVATORS OF CASPASES CYTOVIA, INC. (US) 2001-10-25 — — WO disclosed
JP-S62250046-A CHLORINE-CONTAINING RESIN COMPOSITION SAKAI CHEM IND CO LTD 1987-10-30 — — JP 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-20020010169-A1 Substituted 1, 4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP1, CASP14, CASP4 MAOA 2591/4885SMN1; SMN2 3992/4885MAOB 3740/4885

“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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