SCHEMBL386507

SCHEMBL386507

O=S1(=O)C=CC=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
STAT3 P40763 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
HIF1A Q16665 1/20 0.34
NOX1 Q9Y5S8 1/20 0.31

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
SCHEMBL62430 0.84 CA9 (0.46) GPR3CA1CA2CA9MEN1
SCHEMBL31003510 0.84 CA9 (0.46) GPR3CA1CA2CA9MEN1
Water SCHEMBL27659746 0.82 CA9 (0.44) GPR3CA1CA2CA9MEN1
Methoxymethane SCHEMBL10856175 0.77 CA9 (0.41) GPR3CA1CA2CA9MEN1
Thiophene SCHEMBL28465488 0.74 MEN1 (0.42) GPR3CA1CA2CA9MEN1
Acetone SCHEMBL8996477 0.74 CA9 (0.39) GPR3CA1CA2CA9MEN1
SCHEMBL11036902 0.69 GPR3 (0.55) GPR3CA1CA2CA9MEN1
SCHEMBL2376272 0.69 GPR3 (0.42) GPR3CA1CA2CA9MEN1
SCHEMBL19744948 0.68 GPR3 (0.48) GPR3CA1CA2CA9MEN1
Cyclohexylamine SCHEMBL4918979 0.67 CA1 (0.37) CA1CA2CA9MEN1KMT2A

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060062862-A1 Cholesterol-reducing agent made of dietary fibre and cholesterol-reducing substances NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2006-03-23 US claimed
US-12624111-B2 Methods for treating metastatic colon cancer with leronlimab CYTODYN INC. (US) 2026-05-12 US disclosed
EP-4090675-A1 CCR5 BINDING AGENT FOR TREATMENT OF CCR5 POSITIVE METASTATIC CANCER CytoDyn Inc. (US) 2022-11-23 EP disclosed
US-20220298249-A1 METHODS FOR TREATING OR PREVENTING CANCERS INVOLVING THE ADMINISTRATION OF ANTI-CCR5 RECEPTOR AGENTS CYTODYN INC (US) 2022-09-22 US disclosed
EP-4007603-A1 METHODS FOR TREATING OR PREVENTING CANCERS INVOLVING THE ADMINISTRATION OF ANTI-CCR5 RECEPTOR AGENTS CytoDyn Inc. (US) 2022-06-08 EP disclosed
US-20220162327-A1 ANTI-CCR5 AGENTS AND METHODS OF TREATMENT THAT BLOCK CANCER METASTASIS OR ENHANCE CELL DEATH INDUCED BY DNA DAMAGING CHEMOTHERAPY CYTODYN INC (US) 2022-05-26 US disclosed
CN-114502594-A Methods for treating or preventing cancer involving administration of anti-CCR5 receptor agents 西托戴恩股份有限公司 2022-05-13 CN disclosed
EP-3947431-A1 ANTI-CCR5 AGENTS AND METHODS OF TREATMENT THAT BLOCK CANCER METASTASIS OR ENHANCE CELL DEATH INDUCED BY DNA DAMAGING CHEMOTHERAPY CytoDyn Inc. (US) 2022-02-09 EP disclosed
WO-2021146323-A1 CCR5 BINDING AGENT FOR TREATMENT OF CCR5 POSITIVE METASTATIC BREAST CANCER CYTODYN INC. (US) 2021-07-22 WO disclosed
US-20210214448-A1 CCR5 BINDING AGENT FOR THE TREATMENT OF CCR5 POSITIVE METASTATIC CANCER CYTODYN INC. 2021-07-15 US disclosed
EP-0971744-A2 COMBINATION THERAPY EMPLOYING ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-19 EP disclosed
WO-2000001687-A1 BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. SEARLE & CO. (US) 2000-01-13 WO disclosed
WO-1999064410-A1 BENZO(b)THIEPINE-1,1-DIOXIDE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-12-16 WO disclosed
WO-1999064409-A2 BENZOTHIEPINE-1,1-DIOXIDE DERIVATIVES, METHOD FOR PRODUCING THEM, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-12-16 WO disclosed
US-5994391-A HYPERLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS G.D. SEARLE AND COMPANY (US) 1999-11-30 US disclosed
EP-0888333-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. Searle & Co. (US) 1999-01-07 EP disclosed
WO-1998040375-A2 COMBINATION OF ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed
WO-1997033882-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. SEARLE AND CO. (US) 1997-09-18 WO disclosed
EP-0781278-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE MONSANTO COMPANY (US) 1997-07-02 EP disclosed
WO-1996008484-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE MONSANTO COMPANY (US) 1996-03-21 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 (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-12624111-B2 Methods for treating metastatic colon cancer with leronlimab CCR5, CCL2, CCR2 GPR3 534/4885CA1 3319/4885CA2 4023/4885
US-20060062862-A1 Cholesterol-reducing agent made of dietary fibre and cholesterol-reducing substances CETP, HMGCR, PCSK9 GPR3 4144/4885CA1 3188/4885CA2 2153/4885

“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.