SCHEMBL20299869

SCHEMBL20299869

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.54
CA1 P00915 2/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSP90AA1 P07900 1/20 0.48
OPRK1 P41145 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MMP9 P14780 1/20 0.47
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL20299884 1.00 CA2 (0.54) CA2CA1NPC1RAB9ATP53
SCHEMBL20299874 0.91 MMP9 (0.54) CA2CA1NPC1RAB9ATP53
SCHEMBL20299875 0.91 MMP9 (0.54) CA2CA1NPC1RAB9ATP53
SCHEMBL29987328 0.88 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL20299877 0.88 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2
SCHEMBL402315 0.88 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2
SCHEMBL405095 0.84 CA2 (0.58) CA2CA1
SCHEMBL21253284 0.82 CA2 (0.56) CA2CA1SMN1; SMN2KMT2AALDH1A1
SCHEMBL19262697 0.82 CA2 (0.59) CA2CA1NPC1RAB9ANPSR1
SCHEMBL21800950 0.82 CA2 (0.59) CA2CA1NPC1RAB9ANPSR1

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 CA2 2721/4885CA1 4608/4885NPC1 276/4885
US-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease PIGS, BTD, PPARD CA2 2233/4885CA1 4412/4885NPC1 394/4885

“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.