SCHEMBL1394408

SCHEMBL1394408

CC(=O)[C@@H](N)C1CN(c2ccc(-c3ccc(CNC(Cc4c[nH]c5ccccc45)C(N)=O)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 2/20 0.42
▸ MC1R Q01726 2/20 0.42
▸ F10 P00742 1/20 0.40
▸ CALML3 P27482 4/20 0.39
▸ KCNT1 Q5JUK3 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38

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
SCHEMBL1393206 0.89 SOS1 (0.41) CALML3OPRM1OPRK1
SCHEMBL1394410 0.89 MAOA (0.48) MC5RMC1RF10CALML3
SCHEMBL1394413 0.89 MAOA (0.48) MC5RMC1RF10CALML3
SCHEMBL1393832 0.83 CYP2C19 (0.39) CALML3
SCHEMBL1393207 0.79 MAOA (0.49) F10CALML3
SCHEMBL1394717 0.76 CALML3 (0.45) CALML3
SCHEMBL1393444 0.76 MAOA (0.53) F10CALML3
SCHEMBL1394027 0.75 CALML3 (0.45) CALML3
SCHEMBL1393975 0.75 CALML3 (0.49) CALML3
SCHEMBL3087603 0.75 CCKBR (0.50) —

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 15 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
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 — — US 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-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 — — US disclosed
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-13 — — US disclosed
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same RIB-X PHARMACEUTICALS, INC. 2012-01-12 — — 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
US-7456206-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2008-11-25 — — US disclosed
US-7148219-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2006-12-12 — — US disclosed
US-20060264426-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2006-11-23 — — US disclosed
US-6969726-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-11-29 — — US disclosed
US-20050203147-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-09-15 — — US disclosed
US-20050043317-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-02-24 — — 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 (8 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 MC5R 631/4885MC1R 1501/4885F10 4285/4885
US-20060264426-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF MC5R 631/4885MC1R 1501/4885F10 4285/4885
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF MC5R 631/4885MC1R 1501/4885F10 4285/4885
US-20050043317-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF MC5R 631/4885MC1R 1501/4885F10 4285/4885
US-20090118502-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF MC5R 631/4885MC1R 1501/4885F10 4285/4885
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same PCNA, AADAC, MIF MC5R 631/4885MC1R 1501/4885F10 4285/4885
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same PCNA, AADAC, MIF MC5R 631/4885MC1R 1501/4885F10 4285/4885
US-20050203147-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF MC5R 631/4885MC1R 1501/4885F10 4285/4885

“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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