SCHEMBL20522999

SCHEMBL20522999

CC(=O)c1cc(N2CCN(C(=O)O)CC2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.40
MAPT P10636 8/20 0.39
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
IP6K1 Q92551 1/20 0.36
GFER P55789 2/20 0.36
GAA P10253 1/20 0.36
CASP6 P55212 1/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL20523595 0.85 MAPT (0.49) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL20522923 0.84 ADRB1 (0.40) PRKDCMAPTALDH1A1HTTTSHR
SCHEMBL17394686 0.82 SMN1; SMN2 (0.41) MAPTSMN1; SMN2HTTLMNATSHR
SCHEMBL578443 0.78 LIPG (0.44) ALDH1A1HTTTSHRGFERCASP6
SCHEMBL901893 0.77 USP2 (0.42) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL29067460 0.75 SIRT6 (0.55) MAPTALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL13688215 0.74 MAPT (0.52) PRKDCMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL20298095 0.73 AKR1C3 (0.41) MAPTHTTLMNATSHRGFER
SCHEMBL14158793 0.71 HTT (0.42) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL24265381 0.71 CXCR2 (0.43) ALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-10821115-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-11-03 US disclosed
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2020-06-04 US disclosed
US-10632128-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-04-28 US disclosed
EP-3601297-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN Amgen Inc. (US) 2020-02-05 EP disclosed
US-20190201412-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2019-07-04 US disclosed
US-10300075-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2019-05-28 US disclosed
US-20180289720-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2018-10-11 US disclosed
WO-2018183418-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2018-10-04 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 (7 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-20190201412-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 PRKDC 349/4885MAPT 3626/4885ALDH1A1 1575/4885
US-10821115-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 PRKDC 349/4885MAPT 3626/4885ALDH1A1 1575/4885
US-20180289720-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 PRKDC 349/4885MAPT 3626/4885ALDH1A1 1575/4885
US-10632128-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 PRKDC 349/4885MAPT 3626/4885ALDH1A1 1575/4885
US-10300075-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 PRKDC 349/4885MAPT 3626/4885ALDH1A1 1575/4885
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 PRKDC 349/4885MAPT 3626/4885ALDH1A1 1575/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 PRKDC 356/4885MAPT 3650/4885ALDH1A1 1452/4885

“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.