SCHEMBL20299883

SCHEMBL20299883

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(N3CCOCC3)cc2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CA2 P00918 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ ATM Q13315 1/20 0.46

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
SCHEMBL20299885 1.00 ACACB (0.54) ACACBALDH1A1LMNACA2CA1
SCHEMBL20299905 0.89 — —
SCHEMBL21889886 0.89 ACACB (0.52) ACACBALDH1A1LMNAMAPTATM
SCHEMBL20299903 0.89 — —
SCHEMBL404826 0.81 HDAC8 (0.54) ALDH1A1LMNAMAPTATM
SCHEMBL405095 0.80 CA2 (0.58) CA2CA1
SCHEMBL400350 0.79 ALDH1A1 (0.49) ALDH1A1
SCHEMBL21253283 0.78 CA2 (0.56) ACACBALDH1A1LMNACA2CA1
SCHEMBL21253284 0.78 CA2 (0.56) ACACBALDH1A1LMNACA2CA1
SCHEMBL21800950 0.78 CA2 (0.59) ACACBCA2CA1

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
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2023-01-05 — — US disclosed
US-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease INTERVET INC. (US) 2020-03-19 — — US disclosed
EP-3558284-A2 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE Intervet International B.V. (NL) 2019-10-30 — — EP disclosed
WO-2018115432-A2 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INTERNATIONAL B.V. (NL) 2018-06-28 — — WO 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-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, BRD1 ACACB 550/4885ALDH1A1 1962/4885LMNA 1845/4885
US-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease PIGS, BTD, PPARD ACACB 526/4885ALDH1A1 1567/4885LMNA 1910/4885

“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.

Send feedback