SCHEMBL23442632

SCHEMBL23442632

CCOC(=O)c1ccc(OC[C@@]2(C(OC)OC)CCCc3cc(Cl)ccc32)c(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CREBBP Q92793 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
SCHEMBL23442629 0.92 USP2 (0.38) CYP1A2CYP3A4CYP2D6MAOACYP2C19
SCHEMBL23442624 0.90 KDM1A (0.39) CYP2C19SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL23688339 0.87 KDM4E (0.34) RAB9AHSD17B10ALOX15SPRMEN1
SCHEMBL26314541 0.87 KMT2A (0.40) SMN1; SMN2NPC1RAB9APTGER4MEN1
SCHEMBL23442627 0.83 SMN1; SMN2 (0.38) CYP1A2CYP3A4CYP2D6MAOACYP2C19
SCHEMBL26731640 0.81 CA1 (0.35) SIGMAR1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL23669600 0.80 KDM4C (0.40) SIGMAR1GAAALDH1A1
SCHEMBL23442634 0.80 SMN1; SMN2 (0.37) CYP1A2CYP3A4CYP2D6MAOACYP2C19
SCHEMBL29554530 0.80 ABL1 (0.36) —
SCHEMBL23442633 0.79 PREP (0.37) CYP1A2CYP3A4CYP2D6MAOACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760736-B2 Processes and intermediates for preparing MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2023-09-19 — — US disclosed
US-11760736-B2 Processes and intermediates for preparing MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2023-09-19 — — US disclosed
US-20230013713-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS GILEAD SCIENCES, INC. 2023-01-19 — — US disclosed
US-11325891-B2 Processes and intermediates for preparing MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2022-05-10 — — US disclosed
US-20210179570-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS GILEAD SCIENCES, INC. 2021-06-17 — — US disclosed
WO-2021108254-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-06-03 — — 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 (4 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-11760736-B2 Processes and intermediates for preparing MCL1 inhibitors MCL1, BAK1, BCL3 CYP1A2 4348/4885CYP3A4 4000/4885CYP2D6 4170/4885
US-20210179570-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS MCL1, BAK1, BCL3 CYP1A2 4348/4885CYP3A4 4000/4885CYP2D6 4170/4885
US-11325891-B2 Processes and intermediates for preparing MCL1 inhibitors MCL1, BAK1, BCL3 CYP1A2 4348/4885CYP3A4 4000/4885CYP2D6 4170/4885
US-20230013713-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS MCL1, BAK1, BCL3 CYP1A2 4348/4885CYP3A4 4000/4885CYP2D6 4170/4885

“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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