SCHEMBL6930343

SCHEMBL6930343

CCCOc1ccc2c(c1Oc1cc(C)cc(OS(=O)(=O)c3ccccc3S(=O)(=O)NCCN3CCOCC3)c1)C(=O)NC2=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
KMT2A Q03164 2/20 0.51
PDE5A O76074 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL6747673 0.85 TSHR (0.44) TSHRKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7649160 0.82 MEN1 (0.46) TSHRKMT2APDE5ASMN1; SMN2ALDH1A1
SCHEMBL6747722 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6930340 0.78 TSHR (0.45) TSHRKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6925571 0.78 ALDH1A1 (0.43) TSHRKMT2ASMN1; SMN2ALDH1A1PKM
SCHEMBL6926978 0.77 F2 (0.37) KMT2AALDH1A1
SCHEMBL6747803 0.75 TSHR (0.47) TSHRKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6747676 0.74 TSHR (0.44) TSHRKMT2ASMN1; SMN2ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7649168 0.72 TSHR (0.46) TSHRKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6749958 0.72 F2 (0.47) TSHRKMT2ASMN1; SMN2ALDH1A1L3MBTL1

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 TSHR 685/4885KMT2A 2438/4885PDE5A 712/4885

“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.