SCHEMBL3339990

SCHEMBL3339990

O=[N+]([O-])c1ccc(OC(=S)Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
PKM P14618 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
HSPB1 P04792 1/20 0.47
PTPN7 P35236 1/20 0.47
PTPN12 Q05209 1/20 0.47

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
SCHEMBL7166313 0.93 GAA (0.49) GAABCL9CTNNB1ALDH1A1MAPK1
SCHEMBL3317227 0.82 GAA (0.56) GAABCL9CTNNB1ALDH1A1MAPK1
SCHEMBL15168 0.82 GAA (0.61) GAABCL9CTNNB1ALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL19516242 0.81 GAA (0.59) GAABCL9CTNNB1ALDH1A1MAPK1
SCHEMBL13302638 0.81 GAA (0.54) GAABCL9CTNNB1ALDH1A1MAPK1
SCHEMBL1532183 0.81 GAA (0.54) GAABCL9CTNNB1ALDH1A1MAPK1
SCHEMBL9486189 0.79 GAA (0.57) GAABCL9CTNNB1ALDH1A1MAPK1
SCHEMBL9276769 0.79 GAA (0.57) GAABCL9CTNNB1ALDH1A1MAPK1
Bicarbonate SCHEMBL600121 0.79 GAA (0.57) GAABCL9CTNNB1ALDH1A1MAPK1
Benzene SCHEMBL28222061 0.79 GAA (0.57) GAABCL9CTNNB1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4071584-A Hydroxyphenylthiophosphoranylidene organophosphorus compounds MONSANTO COMPANY (US) 1978-01-31 US claimed
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 EP disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230165865-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2023-06-01 US disclosed
US-20230165865-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2023-06-01 US disclosed
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
EP-3788049-B1 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS REVOLUTION MEDICINES INC (US) 2023-03-29 EP disclosed
US-20230055672-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-02-23 US disclosed
US-11364300-B2 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2022-06-21 US disclosed
US-20210338824-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-11-04 US disclosed
EP-0216860-B1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON, James (US) 1992-10-28 EP disclosed
US-5034506-A Polymers for the determination of genetic sequences and viral diseases ANTI-GENE DEVELOPMENT GROUP (US) 1991-07-23 US disclosed
EP-0216860-A4 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1989-02-22 EP disclosed
EP-0215942-A4 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1988-08-23 EP disclosed
EP-0216860-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1987-04-08 EP disclosed
EP-0215942-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1987-04-01 EP disclosed
WO-1986005519-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD SUMMERTON JAMES 1986-09-25 WO disclosed
WO-1986005518-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON JAMES 1986-09-25 WO disclosed
US-4108949-A 6-Hydroxy (alkoxy) phenylthiomethylene di(organophosphorus) compounds and process for making same MONSANTO COMPANY (US) 1978-08-22 US disclosed
US-4071584-A Hydroxyphenylthiophosphoranylidene organophosphorus compounds MONSANTO COMPANY (US) 1978-01-31 US 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 (5 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-20230165865-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL GAA 1238/4885BCL9 271/4885CTNNB1 1632/4885
US-20210338824-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors MTOR, RICTOR, RPTOR GAA 1806/4885BCL9 582/4885CTNNB1 3382/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR GAA 905/4885BCL9 83/4885CTNNB1 1542/4885
US-11364300-B2 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors MTOR, RICTOR, RPTOR GAA 1806/4885BCL9 582/4885CTNNB1 3382/4885
US-20230055672-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors MTOR, RICTOR, RPTOR GAA 1806/4885BCL9 582/4885CTNNB1 3382/4885

“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.