SCHEMBL21176277

SCHEMBL21176277

CC(C(=O)C(=O)NCC1CC1)N(C=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.41
CYP2C19 P33261 1/20 0.38
EPHX1 P07099 1/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 2/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL19975136 0.95 EPHX1 (0.40) PTGIREPHX1
SCHEMBL19975208 0.95 EPHX1 (0.43) EPHX1
SCHEMBL19975148 0.94 EPHX1 (0.45) EPHX1
SCHEMBL19975529 0.88 PTGIR (0.40) PTGIRCYP2C19EPHX1KDM1ARCOR1
SCHEMBL19975512 0.88 PTGIR (0.40) PTGIRSIGMAR1
SCHEMBL28316641 0.88 SMN1; SMN2 (0.45) PTGIREPHX1
SCHEMBL19975287 0.87 PTGIR (0.47) PTGIR
SCHEMBL19975567 0.86 ALDH1A1 (0.46) PTGIREPHX1
SCHEMBL28315310 0.86 SMN1; SMN2 (0.36) PTGIREPHX1
SCHEMBL19974724 0.85 PTGIR (0.40) PTGIRCYP2C19EPHX1KDM1ARCOR1

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
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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 (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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C PTGIR 540/4885CYP2C19 3198/4885EPHX1 372/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C PTGIR 679/4885CYP2C19 3143/4885EPHX1 449/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C PTGIR 540/4885CYP2C19 3198/4885EPHX1 372/4885

“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.