SCHEMBL5028595

SCHEMBL5028595

O=P(CCO)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CETP P11597 3/20 0.50
GAA P10253 1/20 0.47
PPARD Q03181 1/20 0.45
SRC P12931 1/20 0.43
HPGD P15428 1/20 0.42
PDPK1 O15530 1/20 0.42
MTOR P42345 1/20 0.42
ALPG P10696 1/20 0.42
PTK2B Q14289 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2469341 0.89 TSHR (0.56) TSHRCETPGAASRCHPGD
SCHEMBL30697402 0.87 TSHR (0.55) TSHRCETPSRC
SCHEMBL4641409 0.84 TSHR (0.64) TSHRCETPSRCHPGDPDPK1
SCHEMBL7301581 0.82 TSHR (0.57) TSHRCETP
SCHEMBL51139 0.81 TSHR (0.56) TSHRCETPALDH1A1
SCHEMBL5404588 0.81 CETP (0.58) TSHRCETP
SCHEMBL1243459 0.81 TSHR (0.55) TSHRCETP
SCHEMBL30697407 0.80 TSHR (0.46) TSHRCETPSRCPDPK1MTOR
SCHEMBL5327008 0.79 TSHR (0.63) TSHRCETPSRCPDPK1MTOR
SCHEMBL4154482 0.79 TSHR (0.53) TSHRCETPALDH1A1KDM4E

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 20 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
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
EP-1575486-A4 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2007-02-28 EP disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20060128692-A1 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC (US) 2006-06-15 US disclosed
US-20060115815-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
EP-1620445-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
EP-1575486-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-09-21 EP disclosed
US-20050197320-A1 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. 2005-09-08 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1501841-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2005-02-02 EP disclosed
WO-2004096818-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES, INC. 2004-06-24 US disclosed
WO-2003090691-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
WO-2003091264-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2003-11-06 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 (5 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-20060128692-A1 Non nucleoside reverse transcriptase inhibitors TYMP, PNP, ITPA TSHR 3903/4885CETP 2638/4885GAA 122/4885
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS TSHR 4748/4885CETP 220/4885GAA 24/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS TSHR 4748/4885CETP 220/4885GAA 24/4885
US-20050197320-A1 Non nucleoside reverse transcriptase inhibitors TYMP, PNP, ITPA TSHR 3903/4885CETP 2638/4885GAA 122/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 TSHR 4782/4885CETP 2347/4885GAA 31/4885

“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.