SCHEMBL7076141

SCHEMBL7076141

CCC(NC(=O)C(=O)NCC(OC)OC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
MME P08473 1/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G5 P39877 2/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
FOLH1 Q04609 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL923346 0.80 KMT2A (0.39) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL7015641 0.73 EGLN1 (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16689827 0.73 MEN1 (0.37) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL15154245 0.72 TGFBR1 (0.42) TGFBR1POLBALDH1A1KDM4EMAPT
SCHEMBL12887950 0.72 MEN1 (0.39) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL7214475 0.72 TGFBR1 (0.45) TGFBR1POLBALDH1A1KDM4EMAPT
SCHEMBL193660 0.70 TGFBR1 (0.44) TGFBR1POLBALDH1A1KDM4EMAPT
SCHEMBL193659 0.70 TGFBR1 (0.44) TGFBR1POLBALDH1A1KDM4EMAPT
SCHEMBL18506232 0.70 TGFBR1 (0.44) TGFBR1POLBALDH1A1KDM4EMAPT
SCHEMBL6399291 0.69 CYP2D6 (0.54) POLBALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341784-A2 PROCESS FOR MAKING A THROMBIN INHIBITOR Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-6455532-B1 ANTICOAGULANTS MERCK & CO., INC. 2002-09-24 US disclosed
US-20020103379-A1 Process for making a thrombin inhibitor MERCK SHARP & DOHME LTD. (GB) 2002-08-01 US disclosed
WO-2002046160-A2 PROCESS FOR MAKING A THROMBIN INHIBITOR MERCK & CO., INC. (US) 2002-06-13 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-20020103379-A1 Process for making a thrombin inhibitor TFPI, TFPI2, F2 TGFBR1 3516/4885POLB 1750/4885ALDH1A1 640/4885

“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.