SCHEMBL2693735

SCHEMBL2693735

O=P(O)(O)Nc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.55
CA12 O43570 3/20 0.55
MMP9 P14780 2/20 0.55
MMP8 P22894 2/20 0.55
MMP14 P50281 2/20 0.55
CA14 Q9ULX7 3/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 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
SCHEMBL31690193 0.78 LMNA (0.55) MMP2CA12MMP9MMP8MMP14
SCHEMBL20984530 0.77 MMP2 (0.52) MMP2CA12MMP9MMP8MMP14
SCHEMBL915097 0.76 MMP2 (0.46) MMP2MMP9MMP8MMP14CA14
SCHEMBL195068 0.75 CA9 (0.52) CA12MMP8MMP14CA14CA2
Phosphoric Acid SCHEMBL20984527 0.74 CA12 (0.53) MMP2CA12MMP9MMP8MMP14
SCHEMBL9328080 0.73 CA9 (0.50) CA12MMP8MMP14CA14CA2
SCHEMBL335444 0.71 FDPS (0.50) KMT2AKDM4EALDH1A1GAAMAPT
SCHEMBL16698361 0.70 CA1 (0.61) MMP2CA12MMP9MMP8MMP14
SCHEMBL9851938 0.68 CA12 (0.58) MMP2CA12CA14CA2MEN1
SCHEMBL3361462 0.67 CA2 (0.55) MMP2CA12MMP9MMP8MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-05-03 US claimed
WO-2010125200-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-11-04 WO claimed
US-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-05-03 US disclosed
WO-2010125200-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-11-04 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-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS PNP, TYMP, MTAP MMP2 3173/4885CA12 4826/4885MMP9 3094/4885

“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.