SCHEMBL3087601

SCHEMBL3087601

CC(=O)[C@@H](N)[C@H]1CN(c2ccc(-c3ccc(CNC(=O)C(Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ CCKBR P32239 6/20 0.48
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CCKAR P32238 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TACR1 P25103 1/20 0.43

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
SCHEMBL3087603 0.90 CCKBR (0.50) CTSLCTSSCTSKCCKBRMAPT
SCHEMBL1393206 0.88 SOS1 (0.41) —
SCHEMBL3093094 0.86 CTSS (0.39) CTSSCTSK
SCHEMBL1394408 0.86 MC5R (0.42) —
SCHEMBL1393207 0.79 MAOA (0.49) —
SCHEMBL3085608 0.78 CALML3 (0.40) —
SCHEMBL14432711 0.77 MAOA (0.51) —
SCHEMBL1394413 0.76 MAOA (0.48) —
SCHEMBL1394410 0.76 MAOA (0.48) —
SCHEMBL7256896 0.76 MAOB (0.57) CTSLCTSSCTSKCCKBRMAPT

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 CTSL 28/4885CTSS 320/4885CTSK 817/4885
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF CTSL 28/4885CTSS 320/4885CTSK 817/4885
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION CUTA, CYP17A1, HSD17B11 CTSL 2208/4885CTSS 2360/4885CTSK 807/4885
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection CUTA, CYP17A1, HSD17B11 CTSL 2208/4885CTSS 2360/4885CTSK 807/4885

“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.

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