SCHEMBL22307376

SCHEMBL22307376

BBn1cc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.43
KMT2A Q03164 3/20 0.42
HSP90AA1 P07900 1/20 0.42
CXCR5 P32302 1/20 0.42
APLNR P35414 1/20 0.42
RAB9A P51151 1/20 0.42
CCR6 P51684 1/20 0.42
GFER P55789 1/20 0.42
PARL Q9H300 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA13 Q8N1Q1 2/20 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
SCHEMBL22308629 0.81 AKR1B1 (0.44) KMT2ACA1CA2CA9CA4
SCHEMBL22308264 0.81 AKR1B1 (0.44) KMT2AHSP90AA1CXCR5APLNRRAB9A
SCHEMBL22307381 0.81 AKR1B1 (0.41) AGTR1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL22308428 0.78 ALDH1A1 (0.43) KMT2ARAB9AGFERCA1CA2
SCHEMBL22307873 0.78 MAOA (0.40) CA1CA2CA12CA9CA13
SCHEMBL22307869 0.75 MAPT (0.44) KMT2ARAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL22308350 0.75 ALDH3A1 (0.34) KMT2AGFERCA1CA2LMNA
SCHEMBL22308352 0.69 NR1I2 (0.39) CA1CA2CA12CA9ALDH1A1
SCHEMBL11419996 0.69 CA2 (0.67) AGTR1KMT2APARLCA1CA2
SCHEMBL11855965 0.69 CA2 (0.67) AGTR1KMT2APARLCA1CA2

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 AGTR1 1228/4885KMT2A 1071/4885HSP90AA1 1051/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS AGTR1 1735/4885KMT2A 2210/4885HSP90AA1 550/4885

“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.