SCHEMBL21644539

SCHEMBL21644539

CC(C)c1cc(C(=O)Nc2cnc3ccccc3c2)c(O)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.63
KDR P35968 10/20 0.60
MET P08581 1/20 0.59
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
KDM4E B2RXH2 3/20 0.55
MITF O75030 1/20 0.55
XBP1 P17861 1/20 0.55
PAX8 Q06710 1/20 0.55
KLF5 Q13887 1/20 0.55
ALDH1A1 P00352 2/20 0.53
TRPV1 Q8NER1 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL21644596 0.85 NPC1 (0.58) TMPRSS4METNPC1RAB9AALDH1A1
SCHEMBL21644538 0.81 KIT (0.52) KDR
SCHEMBL21644601 0.80 BRAF (0.45) TMPRSS4METNPC1RAB9APOLB
SCHEMBL2077491 0.80 TMPRSS4 (0.74) TMPRSS4KDRNPC1RAB9AKDM4E
SCHEMBL21644634 0.80 BCL2 (0.69) TMPRSS4NPC1RAB9AKDM4EALDH1A1
SCHEMBL21644666 0.79 CHRNA7 (0.42) TMPRSS4MET
SCHEMBL21644704 0.77 MALT1 (0.44) TMPRSS4MET
SCHEMBL330381 0.77 TMPRSS4 (1.00) TMPRSS4KDRNPC1RAB9AALDH1A1
SCHEMBL30779598 0.77 KDR (0.52) TMPRSS4KDRNPC1RAB9AKDM4E
SCHEMBL21644620 0.77 MET (0.74) KDRMETNPC1RAB9AKDM4E

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 TMPRSS4 3928/4885KDR 3425/4885MET 887/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 TMPRSS4 3928/4885KDR 3425/4885MET 887/4885

“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.