SCHEMBL2698663

SCHEMBL2698663

O=C1CC[C@H](C(=O)O)N(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2873008 1.00 ACE (0.35) ACEALDH1A1SMN1; SMN2
SCHEMBL2873012 1.00 ACE (0.35) ACEALDH1A1SMN1; SMN2
SCHEMBL21023231 0.85 ATM (0.42) ACE
SCHEMBL20723785 0.82 ALDH1A1 (0.35) ACEALDH1A1SMN1; SMN2
SCHEMBL20723786 0.82 ALDH1A1 (0.35) ACEALDH1A1SMN1; SMN2
SCHEMBL31759059 0.80 TSHR (0.39) ACEALDH1A1SMN1; SMN2
SCHEMBL19900653 0.80 MMP2 (0.43) ALDH1A1
SCHEMBL6921106 0.79 MMP2 (0.36) ACE
SCHEMBL1250785 0.79 MMP2 (0.36) ACE
SCHEMBL2576147 0.79 MMP2 (0.36) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015262-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
CN-112574230-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-10-28 CN disclosed
CN-112574230-A Peptidyl arginine deiminase inhibitors and uses thereof 南京药捷安康生物科技有限公司 2021-03-30 CN disclosed
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 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 (2 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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK ACE 327/4885ALDH1A1 2130/4885SMN1; SMN2 4251/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK ACE 327/4885ALDH1A1 2130/4885SMN1; SMN2 4251/4885

“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.