SCHEMBL3093094

SCHEMBL3093094

CC(=O)[C@@H](N)[C@@H]1CN(c2ccc(-c3ccc(CNC(=O)C(Cc4ccccn4)NC(=O)OC(C)(C)C)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.39
▸ CTSK P43235 6/20 0.39
▸ SCN9A Q15858 6/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ SCN10A Q9Y5Y9 3/20 0.37
▸ CTSB P07858 2/20 0.37
▸ CALML3 P27482 3/20 0.36

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
SCHEMBL3093097 0.89 MAOA (0.47) CYP3A4CALML3
SCHEMBL1393881 0.88 CALML3 (0.41) CYP3A4CALML3
SCHEMBL3087601 0.86 CTSL (0.51) CTSSCTSK
SCHEMBL3085608 0.80 CALML3 (0.40) CYP3A4CALML3
SCHEMBL5742729 0.78 CALML3 (0.43) CYP3A4CALML3
SCHEMBL1395003 0.78 CALML3 (0.46) CYP3A4CALML3
SCHEMBL1393639 0.78 CALML3 (0.40) SCN9ACYP3A4CALML3
SCHEMBL1394273 0.77 CALML3 (0.39) CYP3A4CALML3
SCHEMBL1393883 0.77 MAOA (0.52) CYP3A4CALML3
SCHEMBL14432711 0.77 MAOA (0.51) CALML3

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
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection MELINTA SUBSIDARY CORP. (US) 2019-11-12 — — US disclosed
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA SUBSIDIARY CORP. 2016-05-19 — — US 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 (4 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 CTSS 320/4885CTSK 817/4885SCN9A 4885/4885
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF CTSS 320/4885CTSK 817/4885SCN9A 4885/4885
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION CUTA, CYP17A1, HSD17B11 CTSS 2360/4885CTSK 807/4885SCN9A 3865/4885
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection CUTA, CYP17A1, HSD17B11 CTSS 2360/4885CTSK 807/4885SCN9A 3865/4885

“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.

Send feedback