SCHEMBL23111149

SCHEMBL23111149

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2ccc(F)c(-c3c(CBr)nn(C)c3C)c2n1CCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.46
PMAIP1 Q13794 3/20 0.45
ALB P02768 1/20 0.41
BCL2 P10415 1/20 0.40
BAD Q92934 1/20 0.40

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
SCHEMBL29536488 1.00 MCL1 (0.46) MCL1PMAIP1ALBBCL2BAD
SCHEMBL29537424 0.94 MCL1 (0.46) MCL1PMAIP1ALBBAD
SCHEMBL23111231 0.94 MCL1 (0.46) MCL1PMAIP1ALBBAD
SCHEMBL22437409 0.93 MCL1 (0.52) MCL1PMAIP1ALBBCL2BAD
SCHEMBL19615149 0.91 MCL1 (0.49) MCL1PMAIP1ALBBCL2BAD
SCHEMBL24594111 0.90 MCL1 (0.40) MCL1PMAIP1BAD
SCHEMBL22436874 0.89 BAD (0.50) MCL1PMAIP1BCL2BAD
SCHEMBL23111364 0.89 MCL1 (0.51) MCL1PMAIP1ALBBCL2BAD
Hydrochloric Acid SCHEMBL29536491 0.88 MCL1 (0.50) MCL1PMAIP1ALBBCL2BAD
SCHEMBL22437360 0.88 MCL1 (0.52) MCL1PMAIP1ALBBCL2BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710449-B1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS, FOR USE IN THE TREATMENT OF CANCER BROAD INST INC (US) 2022-07-06 EP disclosed
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
US-9512104-B2 Quinolone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2016-12-06 US 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.