SCHEMBL2493079

SCHEMBL2493079

CCCCCC#Cc1csc(C(=O)OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
GPR84 Q9NQS5 1/20 0.36
PLA2G4A P47712 1/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL15060315 0.76 KDM4E (0.44) CDC7DBF4CA12CA1CA2
SCHEMBL5209866 0.74 KCNH2 (0.41) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL6934788 0.74 MMP2 (0.61) FFAR1FFAR4MMP2MMP12CA12
SCHEMBL7907090 0.73 PLA2G4A (0.45) GPR84PLA2G4ACDC7DBF4
SCHEMBL1604519 0.72 MAPK14 (0.35)
SCHEMBL2491602 0.72 PLA2G4A (0.46) GPR84PLA2G4A
SCHEMBL17079709 0.72 MAPT (0.54) FFAR1FFAR4MMP2MMP12CTSL
Methane SCHEMBL7680666 0.72 GPR84 (0.43) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL8947696 0.71 ATM (0.48) FFAR1FFAR4MMP2MMP12
SCHEMBL6939222 0.71 MMP2 (0.57) FFAR1FFAR4MMP2MMP12CA12

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
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
EP-2674437-A1 Novel antibacterial agents for the treatment of GRAM positive infections Cubist Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
EP-2379580-B1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARM INC (US) 2013-10-23 EP disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
EP-2379580-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS Cubist Pharmaceuticals, Inc. (US) 2011-10-26 EP disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed
WO-2010075215-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2010-07-01 WO 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 (3 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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 FFAR1 2911/4885FFAR4 3000/4885MMP2 2241/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 FFAR1 2911/4885FFAR4 3000/4885MMP2 2241/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 FFAR1 2911/4885FFAR4 3000/4885MMP2 2241/4885

“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.