SCHEMBL4150024

SCHEMBL4150024

O=C(NCCOP(=O)(Oc1ccccc1)c1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ELANE P08246 2/20 0.54
▸ PRTN3 P24158 2/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HTT P42858 1/20 0.50
▸ F2 P00734 2/20 0.47
▸ PLAU P00749 2/20 0.47
▸ PLAT P00750 2/20 0.47
▸ KLK1 P06870 2/20 0.46
▸ TGM2 P21980 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KEAP1 Q14145 2/20 0.44
▸ NFE2L2 Q16236 2/20 0.44
▸ KLK8 O60259 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ KLK4 Q9Y5K2 1/20 0.43

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
SCHEMBL5581831 0.80 LMNA (0.70) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL29592964 0.79 LMNA (0.68) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL13538361 0.78 LMNA (0.58) LMNASMN1; SMN2ELANEPRTN3L3MBTL1
SCHEMBL3811564 0.77 L3MBTL1 (0.80) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL5945564 0.77 LMNA (0.57) LMNASMN1; SMN2ELANEPRTN3L3MBTL1
SCHEMBL28046271 0.77 TDP1 (0.66) ELANEPRTN3L3MBTL1HTTTDP1
SCHEMBL14002292 0.76 HTT (0.60) LMNASMN1; SMN2ELANEPRTN3L3MBTL1
SCHEMBL4586916 0.76 HTT (0.60) LMNASMN1; SMN2ELANEPRTN3L3MBTL1
SCHEMBL8189834 0.76 LMNA (0.63) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL9932446 0.76 LMNA (0.63) LMNASMN1; SMN2L3MBTL1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
EP-1742642-B1 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2008-10-15 — — EP disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 — — US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 — — EP disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 — — US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 — — US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 — — WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 — — EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 — — US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 — — US disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
US-20020061839-A1 Serine peptidase modulators SCHARPE SIMON LODEWIJK (BE) 2002-05-23 — — US disclosed
EP-1062222-A1 SERINE PEPTIDASE MODULATORS Fondatech Benelux N.V. (BE) 2000-12-27 — — EP disclosed
WO-1999046272-A1 SERINE PEPTIDASE MODULATORS FONDATECH BENELUX N.V. (BE) 1999-09-16 — — 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 (7 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 LMNA 30/4885SMN1; SMN2 3377/4885ELANE 2868/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 LMNA 24/4885SMN1; SMN2 3976/4885ELANE 3088/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 LMNA 24/4885SMN1; SMN2 3976/4885ELANE 3088/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 LMNA 17/4885SMN1; SMN2 3403/4885ELANE 2910/4885
US-20020061839-A1 Serine peptidase modulators FAP, CTSC, DPP4 LMNA 3159/4885SMN1; SMN2 1271/4885ELANE 87/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE LMNA 2126/4885SMN1; SMN2 4116/4885ELANE 1963/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE LMNA 2126/4885SMN1; SMN2 4116/4885ELANE 1963/4885

“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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