SCHEMBL13537802

SCHEMBL13537802

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nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
LMNA P02545 3/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
PPARD Q03181 1/20 0.33
SOAT1 P35610 1/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 3/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL13537799 0.80 BTN3A1 (0.46) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL11441570 0.79 KMT2A (0.33) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL10010823 0.79 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL14521931 0.79 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL14440198 0.79 PPARD (0.43) PPARD
SCHEMBL17635358 0.78 TDP1 (0.39) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL12921952 0.78 CYP2D6 (0.39) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL10012925 0.76 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL10012007 0.76 TSHR (0.46) ALDH1A1LMNAHSD17B10ALOX15TSHR
SCHEMBL10009516 0.74 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15TSHR

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 7 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
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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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 (1 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ALDH1A1 3337/4885LMNA 2720/4885HSD17B10 1703/4885

“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.