SCHEMBL22308263

SCHEMBL22308263

Cc1ccc(S(=O)(=O)c2cn(I)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
AKR1B1 P15121 1/20 0.44
NR1I2 O75469 1/20 0.43
HSP90AA1 P07900 2/20 0.43
NLRP3 Q96P20 1/20 0.42
PKM P14618 4/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.41
CXCR5 P32302 1/20 0.41
APLNR P35414 1/20 0.41
RAB9A P51151 1/20 0.41
CCR6 P51684 1/20 0.41
GFER P55789 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL9915190 0.83 HTR6 (0.45) AKR1B1PKMALDH1A1HSD17B10SLC9A1
SCHEMBL14434942 0.78 GAA (0.46) GAAAKR1B1NR1I2HSP90AA1NLRP3
SCHEMBL22308264 0.76 AKR1B1 (0.44) GAAAKR1B1NR1I2HSP90AA1NLRP3
SCHEMBL22307533 0.74 NLRP3 (0.48) GAAAKR1B1NR1I2HSP90AA1NLRP3
SCHEMBL22307512 0.74 NLRP3 (0.48) GAAAKR1B1NR1I2HSP90AA1NLRP3
SCHEMBL22307513 0.72 NLRP3 (0.47) GAAAKR1B1NR1I2HSP90AA1NLRP3
SCHEMBL22307523 0.72 NLRP3 (0.47) GAAAKR1B1NR1I2HSP90AA1NLRP3
SCHEMBL22307525 0.72 NLRP3 (0.47) GAAAKR1B1NR1I2HSP90AA1NLRP3
SCHEMBL22307931 0.72 NLRP3 (0.47) GAAAKR1B1NR1I2HSP90AA1NLRP3
SCHEMBL22307440 0.71 NLRP3 (0.53) GAAAKR1B1NR1I2HSP90AA1NLRP3

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 GAA 3688/4885AKR1B1 2660/4885NR1I2 2549/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS GAA 3226/4885AKR1B1 1943/4885NR1I2 1591/4885

“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.