SCHEMBL21889877

SCHEMBL21889877

C#Cc1ccc(C(=O)N[C@H](C(=O)OC)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
BCL2L1 Q07817 1/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 1/20 0.43
CA2 P00918 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL13654202 0.90 TAS1R3 (0.48) TAS1R3TAS1R1NPSR1PPARGPPARA
SCHEMBL1105516 0.90 TAS1R3 (0.48) TAS1R3TAS1R1NPSR1PPARGPPARA
SCHEMBL12379286 0.90 TAS1R3 (0.48) TAS1R3TAS1R1NPSR1PPARGPPARA
SCHEMBL20299918 0.90 TAS1R3 (0.48) TAS1R3TAS1R1NPSR1PPARGPPARA
SCHEMBL20299850 0.87 NPSR1 (0.54) TAS1R3TAS1R1NPSR1MEN1KMT2A
SCHEMBL20299847 0.87 NPSR1 (0.54) TAS1R3TAS1R1NPSR1MEN1KMT2A
SCHEMBL28568590 0.86 P2RY6 (0.44) TAS1R3TAS1R1MEN1CYP2C9KMT2A
SCHEMBL15128048 0.82 MLYCD (0.54) MEN1CYP2C19KMT2AALDH1A1
SCHEMBL26820886 0.81 TAS1R3 (0.70) TAS1R3TAS1R1NPSR1MEN1CYP2C9
SCHEMBL13382238 0.81 PPARG (0.61) TAS1R3TAS1R1NPSR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease INTERVET INC. (US) 2020-03-19 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 (1 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-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease PIGS, BTD, PPARD TAS1R3 1569/4885TAS1R1 1537/4885NPSR1 2251/4885

“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.