SCHEMBL13537697

SCHEMBL13537697

O=P(C=CCBr)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
SRC P12931 1/20 0.40
CETP P11597 3/20 0.40
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.38
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
ALPG P10696 1/20 0.36
PTK2B Q14289 1/20 0.36
FOLH1 Q04609 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TRPA1 O75762 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34

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
SCHEMBL29156005 0.76 TSHR (0.55) TSHRSRCCETPFOLH1ALDH1A1
SCHEMBL4612147 0.76 TSHR (0.59) TSHRSRCCETPIDO1AGXT
SCHEMBL9445911 0.74 TSHR (0.57) TSHRSRCCETPIDO1AGXT
SCHEMBL1358566 0.73 TSHR (0.60) TSHRSRCCETPIDO1AGXT
SCHEMBL5032692 0.72 TSHR (0.59) TSHRSRCCETPIDO1AGXT
SCHEMBL6935650 0.71 TSHR (0.63) TSHRSRCCETPIDO1AGXT
SCHEMBL206609 0.71 TSHR (0.68) TSHRSRCCETPIDO1AGXT
SCHEMBL14556164 0.69 TSHR (0.55) TSHRSRCCETPIDO1AGXT
SCHEMBL14457787 0.69 NPSR1 (0.47) TSHRCETPALDH1A1CA1CA2
SCHEMBL3705675 0.69 TSHR (0.65) TSHRSRCCETPIDO1AGXT

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 3 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-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 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 TSHR 4782/4885SRC 3385/4885CETP 2347/4885

“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.