SCHEMBL4154486

SCHEMBL4154486

O=P(O)(CCOCc1ccccc1)OC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.41
CETP P11597 3/20 0.39
LAP3 P28838 5/20 0.39
ANPEP P15144 2/20 0.39
CYP2D6 P10635 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
TACR1 P25103 2/20 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
SCHEMBL4641415 0.80 ACP3 (0.51) ACP3TSHRLAP3ANPEPCYP2D6
SCHEMBL5032697 0.79 ACP3 (0.50) ACP3TSHRLAP3ANPEPCYP2D6
SCHEMBL4145464 0.78 ACP3 (0.44) ACP3LAP3ANPEPCYP2D6
SCHEMBL28746406 0.78 ACP3 (0.56) ACP3TSHRLAP3ANPEPCYP2D6
SCHEMBL445039 0.78 ACP3 (0.56) ACP3TSHRLAP3ANPEPCYP2D6
SCHEMBL11541664 0.77 ACP3 (0.49) ACP3LAP3ANPEPCYP2D6
SCHEMBL4167079 0.76 CETP (0.62) HTTSMN1; SMN2TSHRCETPPTPN2
SCHEMBL28547996 0.76 ACP3 (0.54) ACP3TSHRLAP3ANPEPCYP2D6
SCHEMBL14440192 0.75 TSHR (0.49) HTTSMN1; SMN2TSHRCETPPTPN2
SCHEMBL11316147 0.75 ACP3 (0.46) ACP3TSHRLAP3ANPEPCYP2D6

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 13 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-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 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 (6 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 ACP3 3659/4885HTT 4510/4885SMN1; SMN2 3377/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 ACP3 3654/4885HTT 3966/4885SMN1; SMN2 3976/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 ACP3 3654/4885HTT 3966/4885SMN1; SMN2 3976/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 ACP3 3259/4885HTT 4163/4885SMN1; SMN2 3403/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE ACP3 554/4885HTT 4059/4885SMN1; SMN2 4116/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE ACP3 554/4885HTT 4059/4885SMN1; SMN2 4116/4885

“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.