SCHEMBL3625680

SCHEMBL3625680

COC(=O)[C@@H](N)CCCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.52
MMP3 P08254 4/20 0.48
MMP8 P22894 4/20 0.48
MMP9 P14780 3/20 0.48
NAAA Q02083 1/20 0.46
MMP1 P03956 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC1A1 P43005 1/20 0.45
DPP8 Q6V1X1 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
EPOR P19235 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.43

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
Hydrochloric Acid SCHEMBL3621460 0.99 LTA4H (0.51) LTA4HMMP3MMP8MMP9NAAA
Hydrochloric Acid SCHEMBL3621454 0.99 LTA4H (0.51) LTA4HMMP3MMP8MMP9NAAA
SCHEMBL733465 0.90 LTA4H (0.55) LTA4HNAAASLC1A1HTTSMN1; SMN2
SCHEMBL733464 0.90 LTA4H (0.55) LTA4HNAAASLC1A1HTTSMN1; SMN2
SCHEMBL735424 0.90 LTA4H (0.55) LTA4HNAAASLC1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL734142 0.89 LTA4H (0.54) LTA4HNAAASLC1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL734141 0.89 LTA4H (0.54) LTA4HNAAASLC1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL736449 0.89 LTA4H (0.54) LTA4HNAAASLC1A1HTTSMN1; SMN2
SCHEMBL25120992 0.86 MMP3 (0.50) MMP3MMP8MMP9NAAAMMP1
SCHEMBL1768582 0.85 SLC1A1 (0.56) LTA4HMMP3MMP8MMP9TDP1

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
EP-2203420-A1 HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-07-07 EP disclosed
US-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
US-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
WO-2009042094-A2 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 WO disclosed
WO-2009042093-A1 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 WO disclosed
WO-2009042093-A1 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 WO disclosed
WO-2009042094-A2 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 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 (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-20100093811-A1 HIV PROTEASE INHIBITORS PRSS1, FURIN, SERPINB1 LTA4H 1027/4885MMP3 98/4885MMP8 117/4885

“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.