SCHEMBL17034258

SCHEMBL17034258

CCOP(C)(=O)OCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
FDPS P14324 5/20 0.44
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BTN3A1 O00481 1/20 0.43
PDE3A Q14432 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
ESR1 P03372 1/20 0.41
CYP19A1 P11511 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
SCHEMBL19353234 1.00 LMNA (0.46) LMNAMAPK1FDPSCHRNB2CHRNA4
SCHEMBL28386449 0.87 LMNA (0.46) LMNAMAPK1FDPSCHRNB2CHRNA4
SCHEMBL17034259 0.82 FDPS (0.53) LMNAMAPK1FDPSBTN3A1PDE3A
SCHEMBL18307753 0.82 FDPS (0.43) LMNAMAPK1FDPSCHRNB2CHRNA4
SCHEMBL207655 0.81 FDPS (0.50) FDPSCHRNB2CHRNA4BTN3A1PDE3A
SCHEMBL17034260 0.81 TSHR (0.55) ALDH1A1POLBPKMKMT2A
SCHEMBL28384938 0.79 GAA (0.46) FDPSCHRNB2CHRNA4L3MBTL1BTN3A1
SCHEMBL578225 0.79 FDPS (0.45) LMNAMAPK1FDPSCHRNB2CHRNA4
SCHEMBL22235083 0.78 FDPS (0.47) FDPSCHRNB2CHRNA4BTN3A1PDE3A
SCHEMBL207656 0.78 FDPS (0.56) LMNAFDPSTDP1BTN3A1PDE3A

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-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
US-9663543-B2 Phosphonate compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US 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 (3 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-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI LMNA 1699/4885MAPK1 574/4885FDPS 152/4885
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP LMNA 1958/4885MAPK1 485/4885FDPS 539/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP LMNA 1958/4885MAPK1 485/4885FDPS 539/4885

“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.