SCHEMBL3840600

SCHEMBL3840600

NC(=O)[C@H]1CCCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.43
ACE P12821 5/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL4492387 1.00 DPP4 (0.43) DPP4ACESPHK2SPHK1CA12
SCHEMBL475439 1.00 DPP4 (0.43) DPP4ACESPHK2SPHK1CA12
SCHEMBL6062398 0.94 CA12 (0.41) DPP4ACESPHK2SPHK1CA12
SCHEMBL2679657 0.94 CA12 (0.41) DPP4ACESPHK2SPHK1CA12
SCHEMBL3073855 0.94 CA12 (0.41) DPP4ACESPHK2SPHK1CA12
SCHEMBL11882083 0.92 CA12 (0.40) DPP4SPHK2SPHK1CA12CA1
SCHEMBL1074840 0.86 DPP4 (0.33) DPP4SPHK2SPHK1
SCHEMBL1074843 0.86 DPP4 (0.33) DPP4SPHK2SPHK1
SCHEMBL26112742 0.86 DPP4 (0.33) DPP4SPHK2SPHK1
SCHEMBL8591233 0.84 HTT (0.45) DPP4ACESPHK2SPHK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023249563-A1 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-12-28 WO disclosed
WO-2023248871-A1 HETEROARYL COMPOUND AND PEST CONTROL AGENT 日本曹達株式会社 2023-12-28 WO disclosed
CN-115403652-A Preparation method of obitasvir 心远(广州)药物研究有限公司 2022-11-29 CN disclosed
US-20210292339-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2021-09-23 US disclosed
CN-108026105-B TGF-beta receptor antagonists 百时美施贵宝公司 2020-10-16 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 US disclosed
EP-3668503-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 EP disclosed
WO-2019035899-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
EP-1960396-B1 CARBAMATE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2009-11-11 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 (3 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 DPP4 4811/4885ACE 4689/4885SPHK2 2631/4885
US-20190055264-A1 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 DPP4 4811/4885ACE 4689/4885SPHK2 2631/4885
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 DPP4 4811/4885ACE 4689/4885SPHK2 2631/4885

“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.