SCHEMBL5877

SCHEMBL5877

COc1cc(-c2ccc(F)cc2)ccc1CCI

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
FYN P06241 2/20 0.39
ABCB1 P08183 2/20 0.39
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
DHFR P00374 1/20 0.37
KMT2A Q03164 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL5881 0.84 PDCD1 (0.43) HTR2CPDGFRBPDGFRAFYNABCB1
SCHEMBL17239836 0.75 NFE2L2 (0.58) HTR2CPDGFRBPDGFRAFYNALDH1A1
SCHEMBL29148400 0.73 PDGFRB (0.47) HTR2CPDGFRBPDGFRAFYNALDH1A1
SCHEMBL5788 0.72 FFAR4 (0.44) HTR2CABCB1ALDH1A1CNR2
SCHEMBL8490782 0.71 TAAR1 (0.64) ABCB1ALDH1A1
SCHEMBL8450825 0.70 HMGCR (0.52) ALDH1A1TSHRKDM4E
SCHEMBL28509155 0.70 ALDH1A1 (0.77) HTR2CPDGFRBPDGFRAFYNALDH1A1
SCHEMBL13614235 0.70 KDM4E (0.47) ALDH1A1TDP1PDCD1CD274KDM4E
SCHEMBL20352601 0.70 SLC6A2 (0.43) HTR2AALDH1A1KDM4E
SCHEMBL15605813 0.70 CYP17A1 (0.58) HTR2CPDGFRBPDGFRAALDH1A1KMT2A

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 HTR2C 4393/4885PDGFRB 4430/4885PDGFRA 4059/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A HTR2C 3966/4885PDGFRB 4553/4885PDGFRA 4330/4885

“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.