Sugi Predict

Sugi Predict / Compounds / SCHEMBL21930588

SCHEMBL21930588

SCHEMBL21930588

C=CC[C@H](C)[C@@H](C)C(=O)N1C(=O)OCC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IL6ST P40189 5/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ NAAA Q02083 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ IDH1 O75874 5/20 0.36
▸ AVPR1A P37288 2/20 0.36
▸ GLS O94925 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
SCHEMBL21930586 1.00 IL6ST (0.45) IL6STALDH1A1GAAHTTNPC1
SCHEMBL21930584 1.00 IL6ST (0.45) IL6STALDH1A1GAAHTTNPC1
SCHEMBL16796724 0.88 ALDH1A1 (0.44) IL6STALDH1A1GAAHTTNPC1
SCHEMBL16796721 0.88 ALDH1A1 (0.44) IL6STALDH1A1GAAHTTNPC1
SCHEMBL21930233 0.87 ALDH1A1 (0.39) IL6STALDH1A1GAAHTTNPC1
SCHEMBL21930236 0.87 ALDH1A1 (0.39) IL6STALDH1A1GAAHTTNPC1
SCHEMBL21930237 0.87 ALDH1A1 (0.39) IL6STALDH1A1GAAHTTNPC1
SCHEMBL21930715 0.86 ALDH1A1 (0.39) IL6STALDH1A1GAAHTTNPC1
SCHEMBL21930717 0.86 ALDH1A1 (0.39) IL6STALDH1A1GAAHTTNPC1
SCHEMBL24864245 0.86 IL6ST (0.46) IL6STALDH1A1GAAHTTNPC1

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
US-20230010358-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein PRELUDE THERAPEUTICS, INCORPORATED 2023-01-12 — — US disclosed
US-11130769-B2 Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein PRELUDE THERAPEUTICS, INCORPORATED (US) 2021-09-28 — — US disclosed
CN-113166173-A Spiro-sulfonamide derivatives as inhibitors of myeloid leukemia 1(MCL-1) protein 普莱鲁德疗法有限公司 2021-07-23 — — CN disclosed
US-20200148705-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein PRELUDE THERAPEUTICS, INCORPORATED 2020-05-14 — — 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-11130769-B2 Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein MCL1, BCL2A1, BCL2L1 IL6ST 689/4885ALDH1A1 475/4885GAA 3509/4885
US-20200148705-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein MCL1, BCL2A1, BCL2L1 IL6ST 689/4885ALDH1A1 475/4885GAA 3509/4885
US-20230010358-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein MCL1, BCL2A1, BCL2L1 IL6ST 689/4885ALDH1A1 475/4885GAA 3509/4885

“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.