SCHEMBL9961565

SCHEMBL9961565

CCC(Cn1ccnc1)OP(C)(C)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.49
TBXAS1 P24557 7/20 0.39
CYP26A1 O43174 3/20 0.37
GGPS1 O95749 3/20 0.36
BTN3A1 O00481 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
CYP19A1 P11511 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL8388764 0.78 TBXAS1 (0.46) FDPSTBXAS1ALDH1A1GAACYP19A1
SCHEMBL8389540 0.77 TBXAS1 (0.45) FDPSTBXAS1LMNAALDH1A1CYP19A1
SCHEMBL10930127 0.75 TBXAS1 (0.42) FDPSTBXAS1CYP26A1ALDH1A1GAA
SCHEMBL10665556 0.71 FDPS (0.46) FDPSTBXAS1LMNAALDH1A1CYP19A1
SCHEMBL18638657 0.71 FDPS (0.46) FDPSTBXAS1ALDH1A1CYP19A1
SCHEMBL18216561 0.70 FDPS (0.48) FDPSTBXAS1ALDH1A1CYP19A1
SCHEMBL3978401 0.70 FDPS (0.58) FDPSTBXAS1CYP26A1GGPS1BTN3A1
Bromide SCHEMBL28252673 0.69 FDPS (0.44) FDPSTBXAS1LMNAALDH1A1CYP19A1
SCHEMBL20953982 0.69 FDPS (0.47) FDPSTBXAS1ALDH1A1CYP19A1
SCHEMBL4581654 0.69 FDPS (0.47) FDPSTBXAS1ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 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 (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-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 FDPS 62/4885TBXAS1 1451/4885CYP26A1 52/4885
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 FDPS 62/4885TBXAS1 1451/4885CYP26A1 52/4885

“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.