SCHEMBL13633220

SCHEMBL13633220

CCCCOC(=O)[C@H](C)NCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 3/20 0.48
ALPG P10696 1/20 0.48
PPARG P37231 1/20 0.48
HTT P42858 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.41
ESR1 P03372 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 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
SCHEMBL19014920 0.94 EPHX1 (0.48) NPSR1ALDH1A1ALPGPPARGHTT
SCHEMBL18697735 0.92 EPHX1 (0.52) NPSR1ALDH1A1TSHREPHX1LMNA
SCHEMBL23843974 0.92 EPHX1 (0.52) NPSR1ALDH1A1TSHREPHX1LMNA
SCHEMBL10149758 0.92 EPHX1 (0.52) NPSR1ALDH1A1TSHREPHX1LMNA
SCHEMBL14621493 0.88 ALDH1A1 (0.39) NPSR1ALDH1A1ALPGPPARGHTT
SCHEMBL18510055 0.83 ALDH1A1 (0.52) NPSR1ALDH1A1ALPGPPARGHTT
SCHEMBL18510017 0.83 ALDH1A1 (0.52) NPSR1ALDH1A1ALPGPPARGHTT
SCHEMBL807264 0.82 ALDH1A1 (0.50) NPSR1ALDH1A1ALPGPPARGHTT
SCHEMBL14304682 0.82 ALDH1A1 (0.50) NPSR1ALDH1A1ALPGPPARGHTT
SCHEMBL16155384 0.80 ALDH1A1 (0.48) NPSR1ALDH1A1ALPGPPARGHTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030903-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20210292348-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-09-23 US disclosed
US-20140066398-A1 HCV POLYMERASE INHIBITORS MEDIVIR, AB (SE) 2014-03-06 US disclosed
US-20130143835-A1 HCV Polymerase Inhibitors MEDIVIR AB (SE) 2013-06-06 US disclosed
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-11-26 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
WO-2007002912-A2 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
WO-2007002808-A1 ANTI-NONMELANOMA CARCINOMA COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 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-12030903-B2 Antiviral compounds EIF2AK2, MAVS, DUT NPSR1 3651/4885ALDH1A1 1761/4885ALPG 3611/4885
US-20130143835-A1 HCV Polymerase Inhibitors POLI, HAVCR2, EIF2AK2 NPSR1 3871/4885ALDH1A1 362/4885ALPG 4032/4885
US-20210292348-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, DUT NPSR1 3651/4885ALDH1A1 1761/4885ALPG 3611/4885
US-20140066398-A1 HCV POLYMERASE INHIBITORS POLI, HAVCR2, EIF2AK2 NPSR1 3871/4885ALDH1A1 362/4885ALPG 4032/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 NPSR1 465/4885ALDH1A1 3836/4885ALPG 1093/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 NPSR1 4160/4885ALDH1A1 3337/4885ALPG 1820/4885

“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.