SCHEMBL611342

SCHEMBL611342

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N(C(=O)O)C(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.47
RORC P51449 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
MEN1 O00255 1/20 0.43
MLNR O43193 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CTSD P07339 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41
CNR1 P21554 1/20 0.41
TBXAS1 P24557 1/20 0.41
ADRA1A P35348 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 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
SCHEMBL28778215 1.00 SPPL2A (0.47) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL1813344 0.89 SPPL2A (0.48) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL1057299 0.88 SPPL2A (0.52) SPPL2ARORCTAS2R14MLNRABCB11
SCHEMBL1058927 0.88 SPPL2A (0.47) SPPL2ARORCALDH1A1TAS2R14MLNR
SCHEMBL2582086 0.88 SPPL2A (0.48) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL6872886 0.87 SPPL2A (0.49) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL1058694 0.87 SPPL2A (0.55) SPPL2AALDH1A1LMNA
SCHEMBL1058578 0.87 SPPL2A (0.48) SPPL2ARORCTAS2R14MLNRABCB11
SCHEMBL1053311 0.86 SPPL2A (0.48) SPPL2ARORCTAS2R14MLNRABCB11
SCHEMBL1059009 0.86 PTGES (0.49) TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685324-A anti-HIV drug intermediate crystal form and preparation method thereof 重庆博腾制药科技股份有限公司 2022-07-01 CN claimed
CN-114685327-A anti-HIV drug intermediate crystal form and preparation method thereof 重庆博腾制药科技股份有限公司 2022-07-01 CN claimed
CN-114685326-A Novel crystal form of anti-HIV drug intermediate and preparation method thereof 重庆博腾制药科技股份有限公司 2022-07-01 CN claimed
CN-114685327-A anti-HIV drug intermediate crystal form and preparation method thereof 重庆博腾制药科技股份有限公司 2022-07-01 CN disclosed
CN-114685326-A Novel crystal form of anti-HIV drug intermediate and preparation method thereof 重庆博腾制药科技股份有限公司 2022-07-01 CN disclosed
CN-114685324-A anti-HIV drug intermediate crystal form and preparation method thereof 重庆博腾制药科技股份有限公司 2022-07-01 CN disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
WO-2011061590-A1 NOVEL CARBOXAMIDE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2011-05-26 WO disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-20050131042-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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 (3 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP SPPL2A 1106/4885RORC 3674/4885ALDH1A1 2920/4885
US-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP SPPL2A 342/4885RORC 3722/4885ALDH1A1 2740/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP SPPL2A 1106/4885RORC 3674/4885ALDH1A1 2920/4885

“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.