SCHEMBL3636004

SCHEMBL3636004

O=C(O)NCCNCCCNNCCNC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA3 P07451 3/20 0.47
CA5A P35218 3/20 0.47
CA5B Q9Y2D0 3/20 0.47
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PAOX Q6QHF9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL27797412 0.87 PRMT1 (0.48) CA3CA5ACA5BALDH1A1CYP2C19
SCHEMBL3483791 0.83 CA3 (0.50) CA3CA5ACA5BCA12CA2
SCHEMBL2240590 0.83 CA3 (0.42) CA3CA5ACA5BCA12CA2
SCHEMBL18338812 0.80 CA3 (0.54) CA3CA5ACA5BCA12CA2
SCHEMBL18544069 0.78 PAOX (0.59) CA3CA5ACA5BCA12CA2
SCHEMBL23069642 0.78 CA12 (0.50) CA3CA5ACA5BCA12CA2
SCHEMBL13756331 0.77 CASP2 (0.59) CA3CA5ACA5BCA12CA2
SCHEMBL8700485 0.77 PAOX (0.44) CA3CA5ACA5BCA12CA2
SCHEMBL8519355 0.76 CA5B (0.55) CA3CA5ACA5BCA12CA2
SCHEMBL8519208 0.76 CA5B (0.55) CA3CA5ACA5BCA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114763336-A Production method of atazanavir sulfate crystal form 威智医药有限公司 2022-07-19 CN disclosed
US-20170136001-A1 METHOD OF TREATING A VIRAL INFECTION USING ELVITEGRAVIR COMBINATIONS GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-20100331331-A1 THERAPEUTIC COMPOSITIONS AND THE USE THEREOF THERAPEUTIC COMPOSITONS AND USE THEREOF (CA) 2010-12-30 US disclosed
EP-2167088-A1 THERAPEUTIC COMPOSITIONS AND THE USE THEREOF Gilead Sciences, Inc. (US) 2010-03-31 EP disclosed
US-20090093467-A1 THERAPEUTIC COMPOSITIONS AND METHODS GILEAD SCIENCES, INC. (US) 2009-04-09 US disclosed
WO-2009006199-A1 THERAPEUTIC COMPOSITIONS AND THE USE THEREOF GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2008156632-A1 AZAPEPTIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2008-12-24 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 (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-20100331331-A1 THERAPEUTIC COMPOSITIONS AND THE USE THEREOF CYP3A43, CYP27A1, CYP7A1 CA3 3345/4885CA5A 317/4885CA5B 372/4885
US-20170136001-A1 METHOD OF TREATING A VIRAL INFECTION USING ELVITEGRAVIR COMBINATIONS CYP3A43, CYP3A7, CYP3A5 CA3 2810/4885CA5A 537/4885CA5B 332/4885
US-20090093467-A1 THERAPEUTIC COMPOSITIONS AND METHODS CYP3A43, CYP7A1, CYP27A1 CA3 2305/4885CA5A 286/4885CA5B 291/4885

“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.