SCHEMBL6925571

SCHEMBL6925571

CCCOc1ccc2c(c1Oc1cc(C)cc(OS(=O)(=O)c3ccccc3S(=O)(=O)N3CCN(C(=O)OCC)CC3)c1)C(=O)NC2=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 5/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F2 P00734 6/20 0.41
F10 P00742 1/20 0.41
PRSS2 P07478 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7649160 0.90 MEN1 (0.46) ALDH1A1SMN1; SMN2TSHRF2F10
SCHEMBL6926978 0.85 F2 (0.37) ALDH1A1KDM4EF2F10PRSS2
SCHEMBL6749786 0.85 F2 (0.44) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL6930343 0.78 TSHR (0.51) ALDH1A1SMN1; SMN2TSHRHPGDKMT2A
SCHEMBL6925569 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL6747722 0.76 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2LMNAHTTF2
SCHEMBL6750147 0.75 F2 (0.53) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL6749785 0.73 F2 (0.47) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL6749285 0.73 F2 (0.43) ALDH1A1KDM4EHPGDF2F10
SCHEMBL7649302 0.72 F2 (0.46) ALDH1A1SMN1; SMN2LMNATSHRKDM4E

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-6518310-B2 Non-peptidic; inhibits trypsin-like protease, thrombin and embolus formation; anticoagulant 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-11 US disclosed
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP disclosed
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-01 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-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 ALDH1A1 3151/4885SMN1; SMN2 3532/4885LMNA 1787/4885

“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.