SCHEMBL21344584

SCHEMBL21344584

N#C[C@]1(CO)CCCc2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.47
ESR2 Q92731 10/20 0.46
ESR1 P03372 8/20 0.46
SIGMAR1 Q99720 2/20 0.42
KDM4C Q9H3R0 1/20 0.37
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 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
SCHEMBL17542386 0.77 KDM1A (0.53) KDM1AESR2ESR1SIGMAR1KDM4C
SCHEMBL2498788 0.77 ESR2 (0.51) KDM1AESR2ESR1SIGMAR1
SCHEMBL21124762 0.74 KDM1A (0.52) KDM1AESR2ESR1SIGMAR1KDM4C
Hydrochloric Acid SCHEMBL20522854 0.72 KDM1A (0.51) KDM1AESR2ESR1SIGMAR1KDM4C
SCHEMBL26194433 0.72 KDM1A (0.48) KDM1AESR2ESR1SIGMAR1KDM4C
SCHEMBL23443007 0.72 KDM1A (0.48) KDM1ASIGMAR1KDM4CSLC6A4SLC6A3
Hydrochloric Acid SCHEMBL20522853 0.72 KDM1A (0.51) KDM1AESR2ESR1SIGMAR1KDM4C
SCHEMBL28883100 0.72 KDM1A (0.57) KDM1ASIGMAR1KDM4C
SCHEMBL20246537 0.71 KDM4E (0.35) KDM1AESR2ESR1
SCHEMBL3863719 0.71 ESR2 (0.46) KDM1AESR2ESR1

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
EP-3762393-B1 ALPHA-HYDROXY PHENYLACETIC ACID PHARMACOPHORE OR BIOISOSTERE MCL-1 PROTEIN ANTAGONISTS AMGEN INC (US) 2023-01-11 EP disclosed
EP-3762393-B1 ALPHA-HYDROXY PHENYLACETIC ACID PHARMACOPHORE OR BIOISOSTERE MCL-1 PROTEIN ANTAGONISTS AMGEN INC (US) 2023-01-11 EP disclosed
US-11274105-B2 Alpha-hydroxy phenylacetic acid pharmacophore or bioisostere Mcl-1 protein antagonists AMGEN INC. (US) 2022-03-15 US disclosed
US-20210047344-A1 ALPHA-HYDROXY PHENYLACETIC ACID PHARMACOPHORE OR BIOISOSTERE MCL-1 PROTEIN ANTAGONISTS AMGEN INC. (US) 2021-02-18 US disclosed
US-20210047344-A1 ALPHA-HYDROXY PHENYLACETIC ACID PHARMACOPHORE OR BIOISOSTERE MCL-1 PROTEIN ANTAGONISTS AMGEN INC. (US) 2021-02-18 US disclosed
WO-2019173181-A1 ALPHA-HYDROXY PHENYLACETIC ACID PHARMACOPHORE OR BIOISOSTERE MCL-1 PROTEIN ANTAGONISTS AMGEN INC. (US) 2019-09-12 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 (2 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-20210047344-A1 ALPHA-HYDROXY PHENYLACETIC ACID PHARMACOPHORE OR BIOISOSTERE MCL-1 PROTEIN ANTAGONISTS MCL1, BCL2A1, BCLAF1 KDM1A 786/4885ESR2 2852/4885ESR1 3970/4885
US-11274105-B2 Alpha-hydroxy phenylacetic acid pharmacophore or bioisostere Mcl-1 protein antagonists MCL1, BCL2A1, BCLAF1 KDM1A 786/4885ESR2 2852/4885ESR1 3970/4885

“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.