SCHEMBL5007380

SCHEMBL5007380

Cc1oc(=O)oc1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 3/20 0.40
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 3/20 0.36
KMT2A Q03164 3/20 0.36
TARBP2 Q15633 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAOB P27338 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 3/20 0.35
POLB P06746 2/20 0.35
MAOA P21397 1/20 0.34
TNKS O95271 1/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL981801 0.79 ABCG2 (0.40) PTGS2ALDH1A1TSHRKDM4ENPC1
SCHEMBL28380813 0.66 PTGS2 (0.56) PTGS2ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL8850132 0.66 KMT2A (0.43) PTGS2ALDH1A1TSHRKDM4ENPC1
SCHEMBL10505281 0.65 MEN1 (0.41) ALDH1A1TSHRKDM4ENPC1KMT2A
SCHEMBL3394581 0.64 PTGS2 (0.58) PTGS2ALDH1A1TSHRKDM4EHPGD
SCHEMBL453197 0.64 TP53 (0.39) PTGS2ALDH1A1TSHRKDM4ENPC1
SCHEMBL28503937 0.64 NR1H4 (0.46) ALDH1A1TSHRKDM4ENPC1KMT2A
SCHEMBL9434736 0.64 NPC1 (0.39) PTGS2ALDH1A1TSHRKDM4ENPC1
SCHEMBL27696 0.64
SCHEMBL5032678 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed
EP-1881974-A2 PHOSPHONATED FLUOROQUINOLONES, ANTIBACTERIAL ANALOGS THEREOF, AND METHODS FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Inc. (CA) 2008-01-30 EP disclosed
WO-2007017762-A2 PHOSPHONATED FLUOROQUINOLONES, ANTIBACTERIAL ANALOGS THEREOF, AND METHODS FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-02-15 WO disclosed
WO-2007017762-A2 PHOSPHONATED FLUOROQUINOLONES, ANTIBACTERIAL ANALOGS THEREOF, AND METHODS FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-02-15 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 (1 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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS PTGS2 3226/4885ALDH1A1 4175/4885TSHR 4446/4885

“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.