SCHEMBL5788

SCHEMBL5788

COc1cc(CCI)ccc1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ABCB1 P08183 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
KCNH2 Q12809 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CNR2 P34972 1/20 0.40
SYK P43405 1/20 0.40
HTR2C P28335 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
SCHEMBL5802 0.86 FFAR4 (0.45) FFAR4ROCK2ROCK1ABCB1ALDH1A1
SCHEMBL27763587 0.84 GRIN1 (0.44) FFAR4ROCK2ROCK1ALDH1A1POLB
SCHEMBL3573364 0.83 PYGL (0.45) FFAR4ROCK2ROCK1ABCB1POLB
SCHEMBL3574563 0.81 TTR (0.45) FFAR4ROCK2ROCK1ABCB1ALDH1A1
SCHEMBL5447780 0.75 CYP19A1 (0.67) ALDH1A1POLBSMN1; SMN2CYP19A1
SCHEMBL7234489 0.74 FFAR4 (0.70) FFAR4
SCHEMBL5785 0.74 MAOB (0.61) ALDH1A1HPGDCYP11B1
SCHEMBL7717965 0.74 PTPN1 (0.62) KCNH2
SCHEMBL8563139 0.74 CYP1A1 (0.62) ALDH1A1SMN1; SMN2SYK
SCHEMBL25297097 0.72 IMPDH2 (0.46) ALDH1A1SYK

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-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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 (2 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT FFAR4 2386/4885ROCK2 3603/4885ROCK1 3197/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A FFAR4 2899/4885ROCK2 3702/4885ROCK1 3863/4885

“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.