SCHEMBL21644559

SCHEMBL21644559

CC(C)c1cc(NS(=O)(=O)c2ccc(F)cc2)c(O)cc1O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.64
ALDH1A1 P00352 4/20 0.64
LMNA P02545 1/20 0.64
HSD17B10 Q99714 3/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALOX15 P16050 1/20 0.58
METAP2 P50579 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B3 P37058 1/20 0.47
HSD17B2 P37059 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL13848337 0.86 ALDH1A1 (0.57) GAAALDH1A1LMNAHSD17B10HTT
SCHEMBL20509694 0.84 ALDH1A1 (0.81) GAAALDH1A1LMNAHSD17B10HTT
SCHEMBL13848247 0.81 ALDH1A1 (0.65) GAAALDH1A1LMNAHSD17B10HTT
SCHEMBL13848086 0.74 ALDH1A1 (0.69) GAAALDH1A1LMNAHSD17B10HTT
SCHEMBL23226723 0.73 STING1 (0.59) GAAALDH1A1HSD17B3HSD17B2
SCHEMBL21644649 0.73 LMNA (0.60) GAAALDH1A1LMNAHTTMEN1
SCHEMBL30779595 0.73 LMNA (0.60) GAAALDH1A1LMNAHTTMEN1
SCHEMBL23226835 0.72 HSD17B2 (0.54) GAAMEN1KMT2ATSHRHSD17B3
SCHEMBL7574096 0.71 MEN1 (0.71) GAAHTTMEN1KMT2ATSHR
SCHEMBL7589428 0.71 FFAR4 (0.67) ALDH1A1LMNAMEN1KMT2AMETAP2

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
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
CN-111164074-A Heat shock protein 90 inhibitor 台北医学大学 2020-05-15 CN disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 GAA 599/4885ALDH1A1 1138/4885LMNA 3431/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 GAA 599/4885ALDH1A1 1138/4885LMNA 3431/4885

“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.