SCHEMBL22308585

SCHEMBL22308585

BBn1cc(S(=O)(=O)c2ccccc2C)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 10/20 0.36
MAPT P10636 5/20 0.35
HTT P42858 2/20 0.35
MCOLN3 Q8TDD5 3/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 6/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD11B1 P28845 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 2/20 0.32
CYP2D6 P10635 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
TP53 P04637 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
SCHEMBL22308443 0.79 SMN1; SMN2 (0.45) L3MBTL1MAPTGAASMN1; SMN2RAPGEF4
SCHEMBL22307381 0.79 AKR1B1 (0.41) KDM4EALDH1A1MAPTLMNANPSR1
SCHEMBL22308264 0.77 AKR1B1 (0.44) ALDH1A1MAPTHTTGAAPOLB
SCHEMBL22307379 0.73 AKR1B1 (0.48) ALDH1A1MAPTLMNAPOLBTP53
SCHEMBL22308629 0.71 AKR1B1 (0.44) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL22308428 0.70 ALDH1A1 (0.43) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL22307378 0.68 HDAC8 (0.47) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL29468592 0.68 ALDH1A1 (0.55) L3MBTL1KDM4EALDH1A1MAPTHTT
SCHEMBL475089 0.68 ALDH1A1 (0.55) L3MBTL1KDM4EALDH1A1MAPTHTT
SCHEMBL22308352 0.68 NR1I2 (0.39) ALDH1A1MAPTGAASMN1; SMN2

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 L3MBTL1 1260/4885KDM4E 1414/4885ALDH1A1 3564/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS L3MBTL1 3380/4885KDM4E 2440/4885ALDH1A1 3111/4885

“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.