SCHEMBL3365232

SCHEMBL3365232

CCCOC(=O)N(OCCC)C(Cc1ccncc1)C(O)CCl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAOB P27338 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3369602 0.80 CYP19A1 (0.36) CYP19A1LMNACYP3A4CYP2C9MAPT
SCHEMBL27537749 0.71 ABCB1 (0.40) CYP19A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL3365234 0.71 ABCB1 (0.40) CYP19A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL5594797 0.71 KDM4E (0.35) CYP19A1MAPTALDH1A1KDM4EALOX15
SCHEMBL3365229 0.64 CDC7 (0.36) CYP19A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5314193 0.62 CYP1A2 (0.48) CYP19A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL7148689 0.61 CHRNB2 (0.34) LMNAALDH1A1
SCHEMBL8157792 0.60 KLK5 (0.47) MAPT
SCHEMBL2672559 0.60 MMP8 (0.54) CYP19A1MAPTALDH1A1
SCHEMBL6640643 0.60 CPB2 (0.46) CYP19A1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
EP-1509537-B9 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-11-14 — — EP disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 — — US disclosed
EP-1509537-B1 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-07-18 — — EP disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — US disclosed
US-20060115815-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2006-06-01 — — US disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 — — US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 — — US disclosed
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES, INC. 2004-06-24 — — 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 (4 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-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS CYP19A1 1212/4885LMNA 3295/4885CYP3A4 247/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP CYP19A1 3888/4885LMNA 2684/4885CYP3A4 2831/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS CYP19A1 1212/4885LMNA 3295/4885CYP3A4 247/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 CYP19A1 3803/4885LMNA 2720/4885CYP3A4 2660/4885

“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.

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