SCHEMBL1067665

SCHEMBL1067665

COC(=O)C(N)CC(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
SLC1A1 P43005 2/20 0.35
SLC7A5 Q01650 1/20 0.33
KIF11 P52732 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA14 Q9ULX7 1/20 0.31
LTA4H P09960 1/20 0.31
GFPT1 Q06210 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30

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
SCHEMBL14012013 1.00 SMN1; SMN2 (0.36) SMN1; SMN2SLC1A1SLC7A5KIF11CA1
Hydrochloric Acid SCHEMBL1067663 0.98 SMN1; SMN2 (0.34) SMN1; SMN2SLC1A1SLC7A5KIF11CA1
SCHEMBL8894673 0.85 SMN1; SMN2 (0.42) SMN1; SMN2SLC1A1SLC7A5KIF11CA1
SCHEMBL8038311 0.80 ALOX15 (0.41) SLC1A1SLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL700933 0.79 SLC7A5 (0.56) SMN1; SMN2SLC7A5CA14SLC1A3SLC1A2
SCHEMBL76796 0.79 SLC7A5 (0.56) SMN1; SMN2SLC7A5CA14SLC1A3SLC1A2
SCHEMBL196338 0.79 SLC7A5 (0.56) SMN1; SMN2SLC7A5CA14SLC1A3SLC1A2
SCHEMBL29783468 0.79 SLC7A5 (0.56) SMN1; SMN2SLC7A5CA14SLC1A3SLC1A2
SCHEMBL18774951 0.78 CA1 (0.34) SMN1; SMN2SLC1A1SLC7A5KIF11CA1
SCHEMBL18774952 0.78 CA1 (0.34) SMN1; SMN2SLC1A1SLC7A5KIF11CA1

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-20230372527-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR ASTRAZENECA UK LIMITED (GB) 2023-11-23 US disclosed
US-20230372527-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR ASTRAZENECA UK LIMITED (GB) 2023-11-23 US disclosed
EP-4225314-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR AstraZeneca UK Limited (GB) 2023-08-16 EP disclosed
US-11325906-B2 Chemical compounds ASTRAZENECA AB (SE) 2022-05-10 US disclosed
WO-2022074617-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR ASTRAZENECA UK LIMITED (GB) 2022-04-14 WO disclosed
WO-2022074617-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR ASTRAZENECA UK LIMITED (GB) 2022-04-14 WO disclosed
US-20210040084-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2021-02-11 US disclosed
WO-2021013735-A1 PARP1 INHIBITORS ASTRAZENECA AB (SE) 2021-01-28 WO disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
CN-1990458-B Process for preparing 4.4-difluoro-2-amino butyric acid with optical activity and ester thereof SHANGHAI PHARMATECH CO LTD 2010-08-11 CN disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
CN-1990458-A Process for preparing 4.4-difluoro-2-amino butyric acid with optical activity and ester thereof SHANGHAI PHARMATECH CO LTD (CN) 2007-07-04 CN 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-20210040084-A1 CHEMICAL COMPOUNDS CYP11B2, CYP11B1, CYP4B1 SMN1; SMN2 4768/4885SLC1A1 1773/4885SLC7A5 1581/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 SMN1; SMN2 2392/4885SLC1A1 1630/4885SLC7A5 1308/4885
US-20230372527-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR PARP12, PARP11, PARP1 SMN1; SMN2 3999/4885SLC1A1 3052/4885SLC7A5 3835/4885
US-11325906-B2 Chemical compounds CYP11B2, CYP11B1, CYP4B1 SMN1; SMN2 4768/4885SLC1A1 1773/4885SLC7A5 1581/4885

“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.