SCHEMBL14010366

SCHEMBL14010366

CCOP(=O)(OCC)C(Br)c1ccc(NC(=O)C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 3/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 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
SCHEMBL5808533 0.88 MAPT (0.39) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL5003839 0.79 CA12 (0.46) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL14010410 0.79 MAPT (0.41) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL8472320 0.77 PDK1 (0.47) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL13656125 0.72 TSHR (0.60) MAPTGAANPSR1CA12CA1
SCHEMBL9503386 0.72 EPHX2 (0.48) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL11316425 0.71 CA12 (0.48) MAPTLMNAGAANPSR1CA12
SCHEMBL11097805 0.71 KIF11 (0.54) MAPTCYP1A2CYP2C9CYP2C19CA12
SCHEMBL11143647 0.71 POLB (0.64) MAPTLMNAGAANPSR1ALDH1A1
SCHEMBL5011680 0.70 CA12 (0.49) MAPTCYP1A2CYP2C9CYP2C19EPHX2

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 2 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
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 MAPT 4742/4885CYP1A2 3850/4885CYP2C9 2368/4885

“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.