Sugi Predict

Sugi Predict / Compounds / SCHEMBL4158403

SCHEMBL4158403

SCHEMBL4158403

CCC(C)OP(=O)(O)CCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 2/20 0.39
▸ PTPN1 P18031 1/20 0.35
▸ MMP1 P03956 2/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ SMPD1 P17405 3/20 0.32
▸ TRPM8 Q7Z2W7 2/20 0.31
▸ PLA2G2C Q5R387 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ LAP3 P28838 1/20 0.30
▸ S1PR2 O95136 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 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
SCHEMBL17644499 0.94 PPARD (0.38) PPARDPTPN1MMP1MMP2MMP3
SCHEMBL1376856 0.88 PPARD (0.52) PPARDPTPN1MMP1MMP2MMP3
SCHEMBL779433 0.86 TRPM8 (0.45) SMPD1TRPM8S1PR2S1PR4S1PR1
SCHEMBL10799957 0.83 LPAR3 (0.50) SMPD1TRPM8
SCHEMBL16427895 0.83 LPAR3 (0.50) SMPD1TRPM8
SCHEMBL14890431 0.83 LPAR3 (0.50) SMPD1TRPM8
SCHEMBL2834718 0.83 MMP1 (0.32) PPARDMMP1MMP2MMP3SMPD1
SCHEMBL2150294 0.83 LPAR3 (0.50) SMPD1TRPM8
SCHEMBL11649168 0.83 LPAR3 (0.50) SMPD1TRPM8
SCHEMBL864318 0.83 CYP1A2 (0.47) PLA2G2C

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 15 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
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-4048374-A Functional organophosphonic acid esters as preservative adhesion promoting agents and coating for metals DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1977-09-13 — — US disclosed
US-4029679-A PROTECTIVE METAL COATING DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1977-06-14 — — US disclosed
US-4022757-A Dicarbamic acid diesters containing phosphorus BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 — — 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 (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 PPARD 4424/4885PTPN1 4226/4885MMP1 2670/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 PPARD 4259/4885PTPN1 3740/4885MMP1 3053/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 PPARD 4259/4885PTPN1 3740/4885MMP1 3053/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 PPARD 4437/4885PTPN1 4325/4885MMP1 3118/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE PPARD 4241/4885PTPN1 3252/4885MMP1 3764/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE PPARD 4241/4885PTPN1 3252/4885MMP1 3764/4885

“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.