SCHEMBL22437409

SCHEMBL22437409

Cc1c(-c2c(F)ccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)n(CCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c23)c(CBr)nn1C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 17/20 0.52
PMAIP1 Q13794 3/20 0.51
ALB P02768 1/20 0.48
BAD Q92934 3/20 0.44
BCL2 P10415 2/20 0.44
BCL2L1 Q07817 2/20 0.44

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
SCHEMBL22437360 0.94 MCL1 (0.52) MCL1PMAIP1ALBBADBCL2
SCHEMBL23111149 0.93 MCL1 (0.46) MCL1PMAIP1ALBBADBCL2
SCHEMBL29536488 0.93 MCL1 (0.46) MCL1PMAIP1ALBBADBCL2
SCHEMBL28640643 0.91 MCL1 (0.57) MCL1PMAIP1ALBBADBCL2
SCHEMBL22437373 0.88 MCL1 (0.57) MCL1PMAIP1ALBBADBCL2
SCHEMBL29537424 0.88 MCL1 (0.46) MCL1PMAIP1ALBBADBCL2L1
SCHEMBL23111231 0.88 MCL1 (0.46) MCL1PMAIP1ALBBADBCL2L1
Hydrochloric Acid SCHEMBL23091294 0.88 MCL1 (0.56) MCL1PMAIP1ALBBADBCL2
SCHEMBL28656194 0.85 MCL1 (0.56) MCL1PMAIP1ALBBADBCL2
SCHEMBL19615149 0.84 MCL1 (0.49) MCL1PMAIP1ALBBADBCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11286263-B2 Macrocyclic fluorine substituted indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-03-29 US disclosed
US-20210079018-A1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-03-18 US disclosed
EP-3710449-A1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS, FOR USE IN THE TREATMENT OF CANCER The Broad Institute, Inc. (US) 2020-09-23 EP 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-11286263-B2 Macrocyclic fluorine substituted indole derivatives FOXM1, CCNT2, CCND2 MCL1 34/4885PMAIP1 2227/4885ALB 3104/4885
US-20210079018-A1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES FOXM1, CCNT2, CCND2 MCL1 34/4885PMAIP1 2227/4885ALB 3104/4885

“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.