SCHEMBL13129159

SCHEMBL13129159

CC(=O)NS(=O)(=O)c1ccccc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN3A Q9NY46 1/20 0.42
NLRP3 Q96P20 1/20 0.41
HSD11B1 P28845 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL27021686 0.79 NLRP3 (0.48) NLRP3
SCHEMBL9230550 0.78 L3MBTL1 (0.47) TSHRL3MBTL1HSD11B1
SCHEMBL3548718 0.77 CA1 (0.52) DHFRTSHRSMN1; SMN2TDP1HTT
SCHEMBL9231458 0.77 L3MBTL1 (0.46) SMN1; SMN2L3MBTL1HSD11B1KDM4E
SCHEMBL23887319 0.75 DHFR (0.53) DHFRTSHRSMN1; SMN2TDP1KDM4E
SCHEMBL19630968 0.75 POLB (0.56) TSHRL3MBTL1
SCHEMBL30754385 0.75 POLB (0.56) TSHRL3MBTL1
SCHEMBL28282283 0.75 KAT6A (0.53) DHFRTSHRSMN1; SMN2TDP1KDM4E
SCHEMBL30307520 0.75 DHFR (0.53) DHFRTSHRSMN1; SMN2TDP1KDM4E
SCHEMBL14328457 0.75 NSD2 (0.47) SMN1; SMN2L3MBTL1HSD11B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 WO disclosed
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myriad Pharmaceuticals, Inc.. (US) 2010-09-23 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-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF HAVCR2, FURIN, SARS1 DHFR 418/4885TSHR 4543/4885SMN1; SMN2 676/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 DHFR 4332/4885TSHR 370/4885SMN1; SMN2 1813/4885

“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.