SCHEMBL16440976

SCHEMBL16440976

CCc1nc2ccc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
GAA P10253 1/20 0.39
GPR119 Q8TDV5 15/20 0.37
DHODH Q02127 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL14741192 0.90 GPR119 (0.39) TAS1R3TAS1R1GPR119DHODH
SCHEMBL14740812 0.88 GPR119 (0.49) GPR119
SCHEMBL14741143 0.87 GPR119 (0.35) GPR119DHODH
SCHEMBL14757877 0.82 TAS1R3 (0.36) TAS1R3TAS1R1GAADHODHLMNA
SCHEMBL16428744 0.79 MAPT (0.41) TAS1R3TAS1R1GAAGPR119LMNA
SCHEMBL16428826 0.79 GPR119 (0.46) GPR119
SCHEMBL14740882 0.78 ALDH1A1 (0.42) LMNA
SCHEMBL14740886 0.78 MCL1 (0.47) DHODHLMNA
SCHEMBL14741032 0.78 DHODH (0.36) DHODH
SCHEMBL14741298 0.78 KMO (0.40) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP TAS1R3 3919/4885TAS1R1 3927/4885GAA 91/4885

“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.