SCHEMBL9989302

SCHEMBL9989302

COc1cc(-c2cnc3ccccc3c2)cc(OS(=O)(=O)C(F)(F)F)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.54
GAK O14976 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDGFRA P16234 2/20 0.44
ALPL P05186 5/20 0.44
BRD4 O60885 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
IGF1R P08069 2/20 0.43
FYN P06241 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41

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
SCHEMBL14892069 0.89 PDGFRB (0.48) PDGFRBGAKMEN1KMT2APDGFRA
SCHEMBL12074221 0.86 PDGFRB (0.58) PDGFRBGAKPDGFRA
SCHEMBL14892070 0.86 PDGFRB (0.49) PDGFRBGAKMEN1KMT2APDGFRA
SCHEMBL14904017 0.83 FYN (0.45) PDGFRBGAKPDGFRAFYNMAP3K11
SCHEMBL14892072 0.83 PDGFRB (0.50) PDGFRBGAKMEN1KMT2APDGFRA
SCHEMBL12074703 0.82 BRD4 (0.44) PDGFRBGAKPDGFRABRD4FYN
SCHEMBL12074922 0.82 CA12 (0.44) PDGFRBPDGFRAALPLPIK3CDPIK3CA
SCHEMBL9989152 0.81 PDGFRB (0.44) PDGFRBGAKMEN1KMT2APDGFRA
SCHEMBL14903996 0.81 PDGFRB (0.44) PDGFRBGAKPDGFRABRD4FYN
SCHEMBL12072784 0.81 NPC1 (0.47) PDGFRBMEN1KMT2AKDRMAP3K11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 WO disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 PDGFRB 4726/4885GAK 4733/4885MEN1 2051/4885

“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.