SCHEMBL9970285

SCHEMBL9970285

O=C(COCc1ccccc1)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.46
NAAA Q02083 2/20 0.44
ALDH1A1 P00352 1/20 0.43
IDH1 O75874 2/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL3308451 1.00 GRM5 (0.46) GRM5NAAAALDH1A1IDH1FAAH
SCHEMBL3308447 1.00 GRM5 (0.46) GRM5NAAAALDH1A1IDH1FAAH
SCHEMBL18122135 0.91 CACNA1G (0.43) GRM5NAAAALDH1A1FAAH
SCHEMBL1750169 0.90 ALDH1A1 (0.55) NAAAALDH1A1IDH1FAAH
SCHEMBL1750168 0.90 ALDH1A1 (0.55) NAAAALDH1A1IDH1FAAH
SCHEMBL4299854 0.89 NAAA (0.46) GRM5NAAAALDH1A1IDH1FAAH
SCHEMBL19713409 0.89 NAAA (0.46) GRM5NAAAALDH1A1IDH1FAAH
SCHEMBL4299858 0.89 NAAA (0.46) GRM5NAAAALDH1A1IDH1FAAH
SCHEMBL27009026 0.88 FAAH (0.49) NAAAALDH1A1IDH1FAAH
SCHEMBL27009889 0.88 FAAH (0.49) NAAAALDH1A1IDH1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723733-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
US-20190177316-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-06-13 US disclosed
WO-2019113175-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2019-06-13 WO disclosed
US-8242174-B2 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-08-14 US disclosed
US-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2012-06-21 US disclosed
US-7807720-B2 Hydroxamic acid derivatives of 3-phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC (US) 2010-10-05 US disclosed
US-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PAN THERA BIOPHARMA,LLC 2008-08-07 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 (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-20190177316-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, SLC10A1, HDGF GRM5 4196/4885NAAA 3590/4885ALDH1A1 2870/4885
US-10723733-B2 Hepatitis B antiviral agents HAVCR2, SLC10A1, HDGF GRM5 4196/4885NAAA 3590/4885ALDH1A1 2870/4885
US-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning ANTXR2, AGXT, AADAC GRM5 3828/4885NAAA 6/4885ALDH1A1 715/4885
US-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning ANTXR2, PAOX, AGXT GRM5 2464/4885NAAA 10/4885ALDH1A1 517/4885

“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.