SCHEMBL7401189

SCHEMBL7401189

NC(CCC(=O)N1CCNCC1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.40
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
TGFBR1 P36897 1/20 0.34
ALOX12 P18054 3/20 0.34
ITGAV P06756 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
MAP1LC3A Q9H492 1/20 0.34
TSHR P16473 1/20 0.33
KDM5A P29375 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL7405587 0.90 CBLB (0.33) ITGB3ITGA2BGAATSHR
SCHEMBL7404314 0.88 CBLB (0.33)
SCHEMBL7403256 0.87 F10 (0.32) ITGB3ITGA2BALDH1A1
SCHEMBL7402168 0.86 KDM4E (0.36) HTR6GAA
SCHEMBL7401228 0.86 CBLB (0.36)
SCHEMBL7401187 0.85 HTR6 (0.38) HTR6TGFBR1GAAALDH1A1MAP1LC3B
SCHEMBL7397205 0.83 CA1 (0.35) HTR6TGFBR1ALOX12GAAMAP1LC3B
SCHEMBL7401181 0.81 HTR6 (0.39) HTR6TGFBR1GAAALDH1A1MAP1LC3B
SCHEMBL7441063 0.77 KCNK3 (0.36) HTR6ITGB3TGFBR1ALOX12ITGAV
SCHEMBL7443310 0.77 POLB (0.36) HTR6TGFBR1ALOX12GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246125-A1 PYRANONE COMPOUNDS USEFUL TO MODULATE OMA1 PROTEASE 712 NORTH INC. 2021-08-12 US claimed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US claimed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO claimed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 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-20210246125-A1 PYRANONE COMPOUNDS USEFUL TO MODULATE OMA1 PROTEASE OPA1, OLA1, PITRM1 HTR6 3769/4885ITGB3 4211/4885ITGA2B 4062/4885

“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.