SCHEMBL21344576

SCHEMBL21344576

COC(=O)[C@]1(CO)CCCc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM1A O60341 3/20 0.43
▸ SIGMAR1 Q99720 2/20 0.39
▸ SOD1 P00441 1/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ TACR3 P29371 1/20 0.38
▸ SRD5A1 P18405 3/20 0.36
▸ SRD5A2 P31213 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HDAC1 Q13547 4/20 0.35
▸ HDAC6 Q9UBN7 4/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 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
SCHEMBL30170621 1.00 KDM4C (0.43) KDM4CKDM1ASIGMAR1SOD1TACR1
SCHEMBL21332603 1.00 KDM4C (0.43) KDM4CKDM1ASIGMAR1SOD1TACR1
SCHEMBL21332605 1.00 KDM4C (0.43) KDM4CKDM1ASIGMAR1SOD1TACR1
SCHEMBL22975883 0.77 KDM1A (0.43) KDM4CKDM1ASIGMAR1SOD1SRD5A1
SCHEMBL21344593 0.77 KDM1A (0.43) KDM4CKDM1ASIGMAR1SOD1SRD5A1
SCHEMBL31730643 0.76 TACR3 (0.44) KDM1ASOD1TACR1TACR3SRD5A1
SCHEMBL31730368 0.76 TACR3 (0.44) KDM1ASOD1TACR1TACR3CYP2C19
SCHEMBL23669476 0.76 TACR1 (0.33) SOD1TACR1TACR3CYP2C19
SCHEMBL21333533 0.76 KDM1A (0.42) KDM4CKDM1ASIGMAR1SOD1SRD5A1
SCHEMBL21333535 0.76 KDM1A (0.42) KDM4CKDM1ASIGMAR1SOD1SRD5A1

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
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 KDM4C 3596/4885KDM1A 786/4885SIGMAR1 440/4885
US-11274105-B2 Alpha-hydroxy phenylacetic acid pharmacophore or bioisostere Mcl-1 protein antagonists MCL1, BCL2A1, BCLAF1 KDM4C 3596/4885KDM1A 786/4885SIGMAR1 440/4885

“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.

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