SCHEMBL3282007

SCHEMBL3282007

Cc1[nH]c(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.37
TTR P02766 3/20 0.36
KCNA6 P17658 1/20 0.34
KCNA3 P22001 1/20 0.34
KCNA4 P22459 1/20 0.34
SOS1 Q07889 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5751749 0.94 EIF4A3 (0.35) XDHTTRLMNA
SCHEMBL17130065 0.78 XDH (0.57) XDHKCNA6KCNA3KCNA4MAP2K1
SCHEMBL402033 0.75 ALDH1A1 (0.50) MAPTPKMCYP1A2LMNAL3MBTL1
SCHEMBL5889599 0.73 MMP1 (0.39) MAPTL3MBTL1
SCHEMBL3117809 0.71 ALOX15 (0.46) TTRKCNA6KCNA3KCNA4MAP2K1
SCHEMBL17999890 0.71 MAP2K1 (0.41) XDHTTRKCNA6KCNA3KCNA4
SCHEMBL29196651 0.70 MAP2K1 (0.64) XDHKCNA6KCNA3KCNA4MAP2K1
SCHEMBL30509203 0.69 KDM4E (0.60) MAPTLMNAL3MBTL1
SCHEMBL5323920 0.69 KDM4E (0.60) MAPTLMNAL3MBTL1
SCHEMBL20918990 0.68 RAB9A (0.47) TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 XDH 917/4885TTR 2630/4885KCNA6 3101/4885

“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.