SCHEMBL3056225

SCHEMBL3056225

O=[C]OCC1c2ccccc2-c2ccc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
PTPRC P08575 2/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
HTR7 P34969 2/20 0.39
HTR2B P41595 2/20 0.39
SRD5A2 P31213 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
SRD5A1 P18405 1/20 0.39
EPHX2 P34913 1/20 0.39
F10 P00742 1/20 0.39
F11 P03951 1/20 0.39
F7 P08709 1/20 0.39

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
SCHEMBL4678800 0.86 KMT2A (0.41) KMT2AKDM4EALDH1A1GAAFABP5
SCHEMBL7764 0.82 CA1 (0.53) KMT2AFABP5FABP7CA1CA2
SCHEMBL1934963 0.82 AKR1B1 (0.41) KMT2AALDH1A1GAAFABP5FABP7
SCHEMBL29633623 0.80 TTR (0.49) TTRPTPRCKMT2AKDM4EMEN1
SCHEMBL3355711 0.80 TTR (0.49) TTRPTPRCKMT2AKDM4EMEN1
SCHEMBL18055683 0.79 CA1 (0.42) KMT2AFABP5FABP7CA1CA2
SCHEMBL1934919 0.78 ALDH1A1 (0.43) KMT2AKDM4EMEN1ALDH1A1GAA
SCHEMBL8007580 0.78 EPHX2 (0.32) KMT2AFABP5FABP7HTR7HTR2B
SCHEMBL135438 0.77 CA1 (0.44) KMT2AFABP5FABP7CA1CA2
SCHEMBL28678862 0.77 CA1 (0.40) KMT2AFABP5FABP7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937040-B2 Antibiotic compositions for the treatment of gram negative infections BIOSOURCE PHARM, INC. (US) 2015-01-20 US disclosed
US-8906866-B2 Antibiotic compositions for the treatment of gram negative infections BIOSOURCE PHARM, INC. (US) 2014-12-09 US disclosed
US-20140073559-A1 Antibiotic Compositions for the Treatment of Gram Negative Infections CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20130345121-A1 Antibiotic Compositions For The Treatment of Gram Negative Infections BIOSOURCE PHARM, INC. (US) 2013-12-26 US disclosed
US-8415307-B1 Antibiotic compositions for the treatment of gram negative infections BIOSOURCE PHARM, INC. (US) 2013-04-09 US disclosed
US-8343912-B2 Antibiotic compositions for the treatment of gram negative infections BIOSOURCE PHARM, INC. (US) 2013-01-01 US disclosed
WO-2010075416-A1 ANTIBIOTIC COMPOSITIONS FOR THE TREATMENT OF GRAM NEGATIVE INFECTIONS BIOSOURCE PHARM, INC. (US) 2010-07-01 WO disclosed
US-20100160215-A1 ANTIBIOTIC COMPOSITIONS FOR THE TREATMENT OF GRAM NEGATIVE INFECTIONS BIOSOURCE PHARM, INC. 2010-06-24 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 (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-20130345121-A1 Antibiotic Compositions For The Treatment of Gram Negative Infections PSMB7, MDN1, PSMB6 TTR 2527/4885PTPRC 3953/4885KMT2A 3996/4885
US-20140073559-A1 Antibiotic Compositions for the Treatment of Gram Negative Infections RPN2, NRDC, RPN1 TTR 3057/4885PTPRC 2972/4885KMT2A 2991/4885
US-20100160215-A1 ANTIBIOTIC COMPOSITIONS FOR THE TREATMENT OF GRAM NEGATIVE INFECTIONS PSMB7, IL17A, IL1B TTR 3633/4885PTPRC 3511/4885KMT2A 4393/4885

“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.