Sugi Predict

Sugi Predict / Compounds / SCHEMBL21707384

SCHEMBL21707384

SCHEMBL21707384

O=C(CS)COc1ccc(Oc2ccc(N(CNc3ccc(Oc4ccc(O)cc4)cc3)CN(CO)c3ccc(Oc4ccc(O)cc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ GALR3 O60755 1/20 0.31

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
SCHEMBL20506766 0.85 MEN1 (0.42) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL21707451 0.82 MEN1 (0.37) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL21707381 0.80 SMN1; SMN2 (0.37) MAPTHTTFFAR1MEN1KMT2A
SCHEMBL20499799 0.75 F13A1 (0.39) MAPTTSHRMAPK1MEN1KMT2A
SCHEMBL20506762 0.68 ALDH1A1 (0.33) MAPTMEN1KMT2AALDH1A1GAA
Bromide SCHEMBL20499802 0.67 F13A1 (0.33) MAPTTSHRMAPK1ALDH1A1GAA
SCHEMBL21707383 0.66 ME2 (0.46) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL19002876 0.66 MAPT (0.42) MAPTHTTTSHRMAPK1MEN1
SCHEMBL17343555 0.66 MAPT (0.42) MAPTTSHRMAPK1KMT2AALDH1A1
SCHEMBL17348254 0.66 CNR2 (0.33) MAPTHTTMAPK1MEN1KMT2A

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
US-11241389-B2 Method to generate microcapsules with hexahydrotriazine (HT)-containing shells INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-02-08 — — US disclosed
US-10624860-B2 Method to generate microcapsules with hexahydrotriazine (HT)-containing shells INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-04-21 — — US disclosed
US-20200046646-A1 METHOD TO GENERATE MICROCAPSULES WITH HEXAHYDROTRIAZINE (HT)-CONTAINING SHELLS INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-02-13 — — 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 (3 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-10624860-B2 Method to generate microcapsules with hexahydrotriazine (HT)-containing shells HNMT, HTT, HRH2 MAPT 625/4885HTT 2/4885TSHR 1441/4885
US-11241389-B2 Method to generate microcapsules with hexahydrotriazine (HT)-containing shells HNMT, HTT, HRH2 MAPT 625/4885HTT 2/4885TSHR 1441/4885
US-20200046646-A1 METHOD TO GENERATE MICROCAPSULES WITH HEXAHYDROTRIAZINE (HT)-CONTAINING SHELLS HNMT, HTT, HRH2 MAPT 625/4885HTT 2/4885TSHR 1441/4885

“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.