SCHEMBL3080498

SCHEMBL3080498

CC(=O)[C@@H](N)C1CN(c2ccc(-c3ccc(C(=O)O)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.50
MAOA P21397 8/20 0.45
MAOB P27338 2/20 0.45
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3081527 0.88 CALML3 (0.46) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL3093368 0.87 MAOA (0.56) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL1394027 0.83 CALML3 (0.45) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL1394094 0.80 CALML3 (0.45) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL1393629 0.80 CALML3 (0.51) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL6099528 0.80 CALML3 (0.41) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL14763265 0.78 MAOA (0.66) CALML3MAOAMAOB
SCHEMBL3080500 0.78 MAOA (0.66) CALML3MAOAMAOB
SCHEMBL1393710 0.78 CALML3 (0.43) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL1393289 0.78 CALML3 (0.43) CALML3MAOAMAOBCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234591-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7705026-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2009-05-07 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 (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-20100234591-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF CALML3 3842/4885MAOA 872/4885MAOB 994/4885
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF CALML3 3842/4885MAOA 872/4885MAOB 994/4885

“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.