Sugi Predict

Sugi Predict / Compounds / SCHEMBL22436697

SCHEMBL22436697

SCHEMBL22436697

CCOC(=O)c1[nH]c2c(B3OC(C)(C)C(C)(C)O3)c(F)ccc2c1CCCOc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 17/20 0.49
▸ BCL2 P10415 2/20 0.45
▸ ALB P02768 1/20 0.45
▸ BCL2L1 Q07817 1/20 0.45
▸ PRKCD Q05655 3/20 0.43
▸ CAMK2B Q13554 3/20 0.43
▸ CAMK2G Q13555 3/20 0.43
▸ NEK4 P51957 2/20 0.43
▸ CAMK2D Q13557 2/20 0.43
▸ HIPK2 Q9H2X6 2/20 0.43
▸ MAP3K20 Q9NYL2 2/20 0.43
▸ MAP4K5 Q9Y4K4 2/20 0.43
▸ EEF2K O00418 1/20 0.43
▸ MARK3 P27448 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ BCL6 P41182 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ MARK2 Q7KZI7 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL22436672 0.94 MCL1 (0.42) MCL1BCL2ALBBCL2L1PRKCD
SCHEMBL19615278 0.92 MCL1 (0.53) MCL1BCL2ALBBCL2L1PRKCD
SCHEMBL22436794 0.90 MCL1 (0.49) MCL1BCL2ALBBCL2L1PRKCD
SCHEMBL4168839 0.88 MCL1 (0.53) MCL1BCL2ALBBCL2L1PRKCD
SCHEMBL29602387 0.88 MCL1 (0.53) MCL1BCL2ALBBCL2L1PRKCD
SCHEMBL22436725 0.86 MCL1 (0.41) MCL1BCL2BCL2L1PRKCDCAMK2B
SCHEMBL22436730 0.83 MCL1 (0.55) MCL1BCL2ALBBCL2L1PRKCD
SCHEMBL30000817 0.83 MCL1 (0.55) MCL1BCL2ALBBCL2L1PRKCD
SCHEMBL19635490 0.82 MCL1 (0.49) MCL1BCL2ALBBCL2L1PRKCD
SCHEMBL22437338 0.81 HTR6 (0.35) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152041-B2 Macrocyclic fluorine substituted indole derivatives THE BROAD INSTITUTE, INC. (US) 2024-11-26 — — US disclosed
US-11891404-B2 Substituted macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2024-02-06 — — US disclosed
US-20230112244-A1 SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-04-13 — — US disclosed
US-11440923-B2 Substituted macrocyclic indole derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-13 — — US disclosed
US-11440923-B2 Substituted macrocyclic indole derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-13 — — US disclosed
US-20220281891-A1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-08 — — US disclosed
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
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-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-20210079018-A1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-03-18 — — US disclosed
CN-111757884-A Substituted macrocyclic indole derivatives 拜耳股份公司 2020-10-09 — — CN disclosed
EP-3710451-A1 SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2020-09-23 — — EP 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 (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-20230112244-A1 SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES FOXM1, CCND2, CCNI MCL1 53/4885BCL2 635/4885ALB 2689/4885
US-12152041-B2 Macrocyclic fluorine substituted indole derivatives FOXM1, CCNT2, CCND2 MCL1 34/4885BCL2 550/4885ALB 3104/4885
US-11286263-B2 Macrocyclic fluorine substituted indole derivatives FOXM1, CCNT2, CCND2 MCL1 34/4885BCL2 550/4885ALB 3104/4885
US-11891404-B2 Substituted macrocyclic indole derivatives FOXM1, CCND2, CCNI MCL1 53/4885BCL2 635/4885ALB 2689/4885
US-20210079018-A1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES FOXM1, CCNT2, CCND2 MCL1 34/4885BCL2 550/4885ALB 3104/4885
US-11440923-B2 Substituted macrocyclic indole derivatives FOXM1, CCND2, CCNI MCL1 53/4885BCL2 635/4885ALB 2689/4885
US-20220281891-A1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES FOXM1, CCNT2, CCND2 MCL1 34/4885BCL2 550/4885ALB 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.