SCHEMBL21528095

SCHEMBL21528095

O=C(Oc1ccc([N+](=O)[O-])cc1)SCl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
KMT2A Q03164 4/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MYOC Q99972 1/20 0.50
PTPN7 P35236 1/20 0.48
PTPN12 Q05209 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
CES1 P23141 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 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
SCHEMBL27355973 0.81 GAA (0.58) GAABCL9CTNNB1KMT2APKM
SCHEMBL24311016 0.81 GAA (0.58) GAABCL9CTNNB1KMT2APKM
SCHEMBL15168 0.79 GAA (0.61) GAABCL9CTNNB1KMT2APKM
SCHEMBL3701908 0.79 GAA (0.61) GAABCL9CTNNB1KMT2APKM
SCHEMBL7063519 0.79 GAA (0.65) GAABCL9CTNNB1KMT2APKM
SCHEMBL26374 0.79 GAA (0.65) GAABCL9CTNNB1KMT2APKM
SCHEMBL10309184 0.78 BCL9 (0.60) GAABCL9CTNNB1KMT2APKM
Ammonia Solution, Strong SCHEMBL19516242 0.78 GAA (0.59) GAABCL9CTNNB1KMT2APKM
SCHEMBL23084891 0.77 GAA (0.62) GAABCL9CTNNB1KMT2APKM
Hydrochloric Acid SCHEMBL7895043 0.77 GAA (0.62) GAABCL9CTNNB1KMT2APKM

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
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
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
US-10980889-B1 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2021-04-20 US disclosed
EP-3788049-A1 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2021-03-10 EP disclosed
US-20190336609-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors Revolution Medicines, Inc. 2019-11-07 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 (6 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-10980889-B1 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors MTOR, RICTOR, RPTOR GAA 1806/4885BCL9 582/4885CTNNB1 3382/4885
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-20190336609-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.