SCHEMBL4889109

SCHEMBL4889109

S=C1SCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.56
▸ LMNA P02545 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL13932284 0.77 CES1 (0.46) ACHELMNASMN1; SMN2ALDH1A1NOTUM
SCHEMBL5845169 0.71 ACHE (1.00) ACHEALDH1A1AKR1B1KMT2ACES1
SCHEMBL16865823 0.71 ACHE (0.56) ACHELMNASMN1; SMN2ALDH1A1CHRM2
SCHEMBL216973 0.71 ACHE (0.56) ACHELMNASMN1; SMN2ALDH1A1CHRM2
SCHEMBL25385438 0.68 ACHE (0.83) ACHELMNASMN1; SMN2ALDH1A1AKR1B1
SCHEMBL9404680 0.68 ACHE (0.52) ACHELMNASMN1; SMN2ALDH1A1CHRM2
SCHEMBL31123671 0.66 ACHE (0.59) ACHELMNASMN1; SMN2ALDH1A1CHRM2
SCHEMBL31510701 0.66 ACHE (0.59) ACHELMNASMN1; SMN2ALDH1A1CHRM2
SCHEMBL86279 0.66 ACHE (0.59) ACHELMNASMN1; SMN2ALDH1A1CHRM2
SCHEMBL19334727 0.66 ACHE (0.48) ACHELMNASMN1; SMN2ALDH1A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080241943-A1 Subnanomolar Precipitator of Thiophilic Metals THE SCRIPPS RESEARCH INSTITUTE (US) 2008-10-02 — — US claimed
WO-2006055883-A2 SUBNANOMOLAR PRECIPITATOR OF THIOPHILIC METALS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-05-26 — — WO claimed
US-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species CAVALIER DISCOVERY 2003-05-01 — — US claimed
EP-0707023-A1 Method for the preparation of a heterocyclic polymer DSM N.V. (NL) 1996-04-17 — — EP claimed
US-20080241943-A1 Subnanomolar Precipitator of Thiophilic Metals THE SCRIPPS RESEARCH INSTITUTE (US) 2008-10-02 — — US disclosed
WO-2006055883-A2 SUBNANOMOLAR PRECIPITATOR OF THIOPHILIC METALS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-05-26 — — WO disclosed
US-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species CAVALIER DISCOVERY 2003-05-01 — — US disclosed
EP-0707023-A1 Method for the preparation of a heterocyclic polymer DSM N.V. (NL) 1996-04-17 — — EP disclosed
US-5220036-A Thiolactone dye precursors POLAROID CORPORATION (US) 1993-06-15 — — US disclosed
US-5196297-A Recording material and process of using POLAROID CORPORATION (US) 1993-03-23 — — US disclosed
US-5028725-A Thiolactone metal complexes POLAROID CORPORATION (US) 1991-07-02 — — US disclosed
US-4970309-A Synthesis of thiolactones POLAROID CORPORATION (US) 1990-11-13 — — US disclosed
EP-0250558-B1 NOVEL COMPOUNDS AND NOVEL RECORDING MATERIAL USING THE SAME POLAROID CORPORATION (US) 1990-05-02 — — EP disclosed
EP-0250558-A1 NOVEL COMPOUNDS AND NOVEL RECORDING MATERIAL USING THE SAME. POLAROID CORP (US) 1988-01-07 — — 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 (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-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species SOD1, SOD3, APEX1 ACHE 4141/4885LMNA 3197/4885SMN1; SMN2 2626/4885
US-20080241943-A1 Subnanomolar Precipitator of Thiophilic Metals LGALS2, LGALS4, CA2 ACHE 4222/4885LMNA 4214/4885SMN1; SMN2 4558/4885

“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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