SCHEMBL22308352

SCHEMBL22308352

BBn1cc(S(=O)(=O)c2cc(OC)cc(OC)c2)nn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 4/20 0.39
F2 P00734 1/20 0.33
AKR1B1 P15121 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PTGS2 P35354 1/20 0.32
FEN1 P39748 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
LOXL2 Q9Y4K0 4/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL22308443 0.78 SMN1; SMN2 (0.45) NR1I2MAPTSMN1; SMN2PKMGAA
SCHEMBL22308264 0.75 AKR1B1 (0.44) NR1I2AKR1B1PTGS2MAPTPKM
SCHEMBL22307381 0.75 AKR1B1 (0.41) AKR1B1MAPTSMN1; SMN2PKMALDH1A1
SCHEMBL22308629 0.72 AKR1B1 (0.44) AKR1B1PTGS2MAPTSMN1; SMN2PKM
SCHEMBL22308428 0.72 ALDH1A1 (0.43) NR1I2PTGS2MAPTSMN1; SMN2ALDH1A1
SCHEMBL22308350 0.72 ALDH3A1 (0.34) NR1I2PTGS2SMN1; SMN2CA1CA2
SCHEMBL22308430 0.72 CYP1B1 (0.58) CYP1B1ALDH1A1
SCHEMBL22307873 0.69 MAOA (0.40) NR1I2MAPTPKMALDH1A1GAA
SCHEMBL22307376 0.69 AGTR1 (0.43) PTGS2MAPTSMN1; SMN2ALDH1A1CA12
SCHEMBL22308585 0.68 L3MBTL1 (0.37) MAPTSMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 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 (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-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS NR1I2 2549/4885F2 4806/4885AKR1B1 2660/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS NR1I2 1591/4885F2 3971/4885AKR1B1 1943/4885

“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.