Sugi Predict

Sugi Predict / Compounds / SCHEMBL20067904

SCHEMBL20067904

SCHEMBL20067904

CC(N[S@@+]([O-])C(C)(C)C)c1nc2ccc(F)cc2cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.41
▸ STAT3 P40763 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PPIA P62937 1/20 0.33
▸ CCNT1 O60563 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCNA1 P78396 1/20 0.33

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
SCHEMBL28572005 1.00 LMNA (0.41) LMNASTAT3HTTSMN1; SMN2POLB
SCHEMBL28572006 1.00 LMNA (0.41) LMNASTAT3HTTSMN1; SMN2POLB
SCHEMBL23383007 0.80 LMNA (0.37) LMNAMAPTL3MBTL1LRRK2KDM4E
SCHEMBL21514010 0.80 LMNA (0.37) LMNAMAPTL3MBTL1LRRK2KDM4E
SCHEMBL20067907 0.79 HTT (0.49) LMNASTAT3HTTSMN1; SMN2POLB
SCHEMBL28563970 0.79 HTT (0.49) LMNASTAT3HTTSMN1; SMN2POLB
SCHEMBL31167021 0.78 PDGFRB (0.41) STAT3HTTSMN1; SMN2MAPTPDGFRB
SCHEMBL20061330 0.78 BACE1 (0.34) —
SCHEMBL17040912 0.75 KDM1A (0.41) LMNAHTTSMN1; SMN2MAPTPPIA
SCHEMBL18862530 0.75 KDM1A (0.41) LMNAHTTSMN1; SMN2MAPTPPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107690433-B Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating PI3 kinase-associated diseases comprising the same as active ingredient 韩国化学研究院 2021-04-09 — — CN disclosed
EP-3312175-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2018-04-25 — — EP disclosed
US-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 — — 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 (1 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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT WEE2, WEE1, ITK LMNA 3587/4885STAT3 24/4885HTT 444/4885

“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.