SCHEMBL19284879

SCHEMBL19284879

C=CCN(C[C@@H]1CCCO1)S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.41
▸ PER2 O15055 2/20 0.36
▸ CRY1 Q16526 2/20 0.36
▸ CRY2 Q49AN0 2/20 0.36
▸ ATM Q13315 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NR2F2 P24468 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CPB1 P15086 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
SCHEMBL23670885 1.00 ALDH1A1 (0.41) ALDH1A1PER2CRY1CRY2ATM
SCHEMBL23688071 1.00 ALDH1A1 (0.41) ALDH1A1PER2CRY1CRY2ATM
SCHEMBL9942344 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBTSHRKMT2A
SCHEMBL23687899 0.75 ALDH1A1 (0.36) ALDH1A1PER2CRY1CRY2ATM
SCHEMBL23687059 0.75 ALDH1A1 (0.36) ALDH1A1PER2CRY1CRY2ATM
SCHEMBL23687321 0.75 ALDH1A1 (0.36) ALDH1A1PER2CRY1CRY2ATM
SCHEMBL23687909 0.75 ALDH1A1 (0.36) ALDH1A1PER2CRY1CRY2ATM
SCHEMBL1079249 0.71 CA2 (0.40) ALDH1A1POLBMEN1TSHRHTT
SCHEMBL15663014 0.71 OXTR (0.40) ALDH1A1GAASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL11668105 0.69 CA2 (0.39) ALDH1A1POLBMEN1TSHRHTT

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-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 — — US disclosed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 — — US disclosed
US-11306107-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2022-04-19 — — US disclosed
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-07-29 — — US disclosed
WO-2017147410-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2017-08-31 — — 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 (4 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-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 ALDH1A1 1891/4885PER2 2876/4885CRY1 3276/4885
US-11306107-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1891/4885PER2 2876/4885CRY1 3276/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 ALDH1A1 1891/4885PER2 2876/4885CRY1 3276/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1891/4885PER2 2876/4885CRY1 3276/4885

“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.

Send feedback