Sugi Predict

Sugi Predict / Compounds / SCHEMBL20833308

SCHEMBL20833308

SCHEMBL20833308

CC(C)(C)c1ccc2c(c1)C([C@@H](O)[C@@H]1CCCN1)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ KIF11 P52732 3/20 0.33
▸ PDCD1LG2 Q9BQ51 2/20 0.33

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
SCHEMBL22259843 1.00 NPC1 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL22260399 0.94 SCN10A (0.39) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL20833016 0.94 SCN10A (0.39) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL20832995 0.94 SCN10A (0.39) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL24768202 0.86 SLC6A3 (0.39) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL19399365 0.86 SLC6A3 (0.39) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL36392634 0.86 SLC6A3 (0.39) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL22769540 0.86 SLC6A3 (0.39) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL18464579 0.86 SLC6A3 (0.39) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL36997213 0.86 SLC6A3 (0.39) NPC1RAB9ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348524-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2023-11-02 — — US disclosed
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 — — US disclosed
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 — — US disclosed
WO-2020191252-A1 TECHNOLOGIES USEFUL FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2020-09-24 — — WO disclosed
US-20200231620-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2020-07-23 — — US disclosed
WO-2019055951-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2019-03-21 — — WO 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-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT NPC1 3712/4885ALDH1A1 2134/4885PLA2G1B 1428/4885
US-20200231620-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION POLRMT, DCLRE1B, RNGTT NPC1 1889/4885ALDH1A1 3318/4885PLA2G1B 993/4885
US-20230348524-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION POLRMT, DCLRE1B, RNGTT NPC1 1889/4885ALDH1A1 3318/4885PLA2G1B 993/4885

“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.