SCHEMBL20742079

SCHEMBL20742079

CS(=O)(=O)OCc1ccnc(N2C[C@@H]3C[C@H]2CO3)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ MAP3K12 Q12852 12/20 0.39
▸ MTOR P42345 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.36
▸ MAP3K13 O43283 3/20 0.36
▸ ATR Q13535 1/20 0.35
▸ STK17A Q9UEE5 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
SCHEMBL20742465 0.79 MAP3K12 (0.45) KCNQ3KCNQ2MAP3K12MTORPIK3CA
SCHEMBL20742448 0.75 MTOR (0.35) MAP3K12MTORPIK3CAATR
SCHEMBL20742614 0.75 ATR (0.46) MTORPIK3CAATR
SCHEMBL20742611 0.75 ATR (0.46) MTORPIK3CAATR
SCHEMBL20745332 0.74 HCRTR2 (0.37) —
SCHEMBL20742754 0.72 KCNQ3 (0.49) KCNQ3KCNQ2MAP3K12MTORPIK3CA
SCHEMBL26141926 0.72 MAP3K12 (0.45) KCNQ3KCNQ2MAP3K12MTORPIK3CA
SCHEMBL20745766 0.72 CA12 (0.47) MTORPIK3CA
SCHEMBL31434277 0.71 NR1H2 (0.35) —
SCHEMBL22320385 0.71 ACACB (0.38) MAP3K12

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-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2022-08-18 — — US disclosed
US-20210292339-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2021-09-23 — — US disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 — — US disclosed
EP-3668504-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 — — EP disclosed
WO-2019035914-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 — — WO disclosed
US-20190055264-A1 Macrocyclic MCL-1 inhibitors and methods of use AbbVie Deutschland GmbH & Co. KG (DE) 2019-02-21 — — 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 (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-20210292339-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 KCNQ3 3568/4885KCNQ2 3731/4885MAP3K12 2829/4885
US-20190055264-A1 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 KCNQ3 3568/4885KCNQ2 3731/4885MAP3K12 2829/4885
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 KCNQ3 3568/4885KCNQ2 3731/4885MAP3K12 2829/4885
US-20220259226-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 KCNQ3 3568/4885KCNQ2 3731/4885MAP3K12 2829/4885

“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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