SCHEMBL21678064

SCHEMBL21678064

CC(C)c1cc(C(=O)NCc2cccc3c2ccn3C(=O)OC(C)(C)C)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.39
SGMS2 Q8NHU3 1/20 0.38
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
GHSR Q92847 4/20 0.36
S1PR3 Q99500 1/20 0.36
PPARA Q07869 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.35
NR1H2 P55055 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35

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
SCHEMBL21678066 0.86 SGMS2 (0.43) SGMS2PLA2G1BATG4BPPARAL3MBTL1
SCHEMBL20509680 0.80 GRM4 (0.41) SGMS2MAPTKMT2A
SCHEMBL21644549 0.80 MAOB (0.41) SGMS2MAPTKMT2A
SCHEMBL30779557 0.77 SGMS2 (0.62) SGMS2PPARAL3MBTL1LMNAMAPT
SCHEMBL21644540 0.77 SGMS2 (0.62) SGMS2PPARAL3MBTL1LMNAMAPT
SCHEMBL30779621 0.77 PLA2G1B (0.50) SGMS2PLA2G1BATG4BPPARAL3MBTL1
SCHEMBL21644541 0.77 PLA2G1B (0.50) SGMS2PLA2G1BATG4BPPARAL3MBTL1
SCHEMBL21644520 0.73 LMNA (0.55) SGMS2PLA2G1BATG4BPPARAL3MBTL1
SCHEMBL30779518 0.73 LMNA (0.55) SGMS2PLA2G1BATG4BPPARAL3MBTL1
SCHEMBL16632521 0.73 TRPV3 (0.41) TRPV3L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 TRPV3 3788/4885SGMS2 3734/4885PLA2G1B 3830/4885

“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.