SCHEMBL16838680

SCHEMBL16838680

CC(=O)N1C[C@@H](F)C[C@@H]1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
MMP2 P08253 4/20 0.40
ANPEP P15144 3/20 0.40
PIN1 Q13526 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
POLB P06746 1/20 0.35
PEPD P12955 1/20 0.35
XPNPEP1 Q9NQW7 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
SCHEMBL5211012 1.00 ATM (0.63) ATMMMP2ANPEPPIN1DPP4
SCHEMBL29231126 1.00 ATM (0.63) ATMMMP2ANPEPPIN1DPP4
SCHEMBL5211015 1.00 ATM (0.63) ATMMMP2ANPEPPIN1DPP4
SCHEMBL5211019 1.00 ATM (0.63) ATMMMP2ANPEPPIN1DPP4
SCHEMBL16105109 0.83 ATM (0.42) ATMPIN1DPP4DPP8DPP9
SCHEMBL22029235 0.83 ATM (0.42) ATMPIN1DPP4DPP8DPP9
SCHEMBL5068781 0.83 ATM (0.42) ATMPIN1DPP4DPP8DPP9
SCHEMBL6917334 0.83 ATM (0.42) ATMPIN1DPP4DPP8DPP9
SCHEMBL3183947 0.83 ATM (0.42) ATMPIN1DPP4DPP8DPP9
SCHEMBL3614287 0.83 ATM (0.42) ATMPIN1DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11123348-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2021-09-21 US disclosed
US-20200179391-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2020-06-11 US disclosed
US-10596175-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2020-03-24 US disclosed
US-20190000852-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2019-01-03 US disclosed
US-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-11-23 US disclosed
US-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-11-23 US disclosed
US-9303034-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-04-05 US disclosed
US-20150175613-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2015-06-25 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 (6 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-20150175613-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT ATM 3769/4885MMP2 1041/4885ANPEP 1908/4885
US-20190000852-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT ATM 3769/4885MMP2 1041/4885ANPEP 1908/4885
US-11123348-B2 Compounds and compositions for the treatment of parasitic diseases TYR, TBCA, MAPT ATM 3769/4885MMP2 1041/4885ANPEP 1908/4885
US-10596175-B2 Compounds and compositions for the treatment of parasitic diseases TYR, TBCA, MAPT ATM 3769/4885MMP2 1041/4885ANPEP 1908/4885
US-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT ATM 3769/4885MMP2 1041/4885ANPEP 1908/4885
US-20200179391-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT ATM 3769/4885MMP2 1041/4885ANPEP 1908/4885

“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.