SCHEMBL22429645

SCHEMBL22429645

C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
PTGS1 P23219 1/20 0.51
PDE4A P27815 1/20 0.51
CACNA1C Q13936 1/20 0.47
ABCC2 Q92887 1/20 0.45
TERF2 Q15554 5/20 0.39
CTSC P53634 4/20 0.35
CAPN1 P07384 1/20 0.32

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
SCHEMBL26679247 1.00 ESR1 (0.51) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429493 1.00 ESR1 (0.51) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429540 0.90 CACNA1C (0.50) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL26678817 0.90 CACNA1C (0.50) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL26678826 0.90 CACNA1C (0.50) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429572 0.89 CACNA1C (0.49) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL26679019 0.89 CACNA1C (0.49) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429138 0.89 CACNA1C (0.49) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429896 0.89 CACNA1C (0.49) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429544 0.88 ESR1 (0.52) ESR1PTGS1PDE4ACACNA1CABCC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3430013-B1 CARBAPENEM COMPOUNDS ORCHID PHARMA LTD (IN) 2023-11-15 EP disclosed
EP-3430013-B1 CARBAPENEM COMPOUNDS ORCHID PHARMA LTD (IN) 2023-11-15 EP disclosed
US-11180504-B2 Substituted carbapenems for the treatment of bacterial infections ORCHID PHARMA LTD. (IN) 2021-11-23 US disclosed
US-20200291029-A1 CARBAPENEM COMPOUNDS MERCK SHARP & DOHME CORP. 2020-09-17 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-11180504-B2 Substituted carbapenems for the treatment of bacterial infections SLC11A2, GSK3B, GSK3A ESR1 1298/4885PTGS1 2147/4885PDE4A 1205/4885
US-20200291029-A1 CARBAPENEM COMPOUNDS GSK3B, GSK3A, GNE ESR1 2445/4885PTGS1 1600/4885PDE4A 1114/4885

“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.