SCHEMBL6154302

SCHEMBL6154302

O=C1OC(OCc2ccccc2)C(Br)=C1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.46
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CTSC P53634 1/20 0.40
CTSF Q9UBX1 1/20 0.40
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.37
SIGMAR1 Q99720 1/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL6155062 0.81 CCKBR (0.51) CCKBRCTSVCTSLCTSBCTSS
SCHEMBL30104893 0.79 CCKBR (0.41) CCKBRCTSVCTSLCTSBCTSS
SCHEMBL29822108 0.74 CTSV (0.36) CTSVCTSLCTSBCTSSCTSK
SCHEMBL28735046 0.73 ALDH1A1 (0.46) CCKBRCTSVCTSLCTSBCTSS
SCHEMBL6153909 0.73 CCKBR (0.59) CCKBRCTSVCTSLCTSBCTSS
SCHEMBL28393133 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6339854 0.71 CCKBR (0.44) CCKBRCTSVCTSLCTSBCTSS
SCHEMBL30104874 0.70 CCKBR (0.59) CCKBRCTSVCTSLCTSBCTSS
SCHEMBL6154193 0.69 CCKBR (0.64) CCKBRCTSVCTSLCTSBCTSS
SCHEMBL29822002 0.68 KDM4E (0.35) ALDH1A1TSHRMAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583927-B Thioether compound, and preparation method and application thereof 华南师范大学 2024-07-12 CN disclosed
CN-115583927-A Thioether compound and preparation method and application thereof 华南师范大学 2023-01-10 CN disclosed
CN-109651310-B N-furanone aryl sulfonyl hydrazide derivative and preparation method and application thereof 华南师范大学 2022-07-22 CN disclosed
US-6924377-B2 Process for preparing highly functionalized γ-butyrolactams and γ-amino acids WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
US-20050131239-A1 Preparation of aryl-substituted butenolides using mucohalic acids BLAZECKA PETER G (CA) 2005-06-16 US disclosed
EP-1499583-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS Warner-Lambert Company LLC (US) 2005-01-26 EP disclosed
US-20030236415-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-25 US disclosed
US-20030225149-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-04 US disclosed
WO-2003093220-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 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 (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-20030236415-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids GABRB2, GABRG2, GABRB1 CCKBR 208/4885CTSV 4437/4885CTSL 3562/4885
US-20030225149-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids GABRB2, GABRG2, GABRB1 CCKBR 208/4885CTSV 4437/4885CTSL 3562/4885
US-20050131239-A1 Preparation of aryl-substituted butenolides using mucohalic acids DBH, BBOX1, ALG1 CCKBR 330/4885CTSV 2775/4885CTSL 3759/4885

“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.