SCHEMBL3093368

SCHEMBL3093368

CC(=O)[C@@H](N)C1CN(c2ccc(-c3ccc(C(=O)O)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.56
CALML3 P27482 5/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C19 P33261 1/20 0.49
MAOB P27338 1/20 0.48
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3080498 0.87 CALML3 (0.50) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL3081527 0.85 CALML3 (0.46) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL14763502 0.81 MAOA (0.65) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL3093375 0.81 MAOA (0.65) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL27820775 0.80 CALML3 (0.43) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL19305235 0.79 MAOB (0.41) MAOACALML3MAOB
SCHEMBL24923218 0.79 MAOA (0.51) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL27944788 0.78 CALML3 (0.43) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL27573559 0.77 CYP2C19 (0.51) MAOACALML3CYP3A4CYP2C19MAOB
SCHEMBL27573562 0.77 CYP2C19 (0.51) MAOACALML3CYP3A4CYP2C19MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3217974-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION Melinta Therapeutics, Inc. (US) 2017-09-20 EP disclosed
WO-2016077818-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA THERAPEUTICS, INC. (US) 2016-05-19 WO disclosed
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 MAOA 872/4885CALML3 3842/4885CYP3A4 793/4885
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF MAOA 872/4885CALML3 3842/4885CYP3A4 793/4885

“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.