SCHEMBL6747803

SCHEMBL6747803

Cc1cc(OCCCON)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)NCCN2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
KMT2A Q03164 1/20 0.47
F2 P00734 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL6749958 0.89 F2 (0.47) TSHRKMT2AF2SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6745989 0.89 F2 (0.47) TSHRKMT2AF2SMN1; SMN2ALDH1A1
SCHEMBL6749965 0.89 F2 (0.64) F2
Hydrochloric Acid SCHEMBL6745999 0.88 F2 (0.63) F2
SCHEMBL6747676 0.87 TSHR (0.44) TSHRKMT2AF2SMN1; SMN2ALDH1A1
SCHEMBL6747673 0.83 TSHR (0.44) TSHRKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6749804 0.79 F2 (0.50) F2ALDH1A1PKMUSP2
Hydrochloric Acid SCHEMBL7649168 0.79 TSHR (0.46) TSHRKMT2AF2SMN1; SMN2ALDH1A1
SCHEMBL6747392 0.77 F2 (0.72) F2
SCHEMBL6747809 0.76 F2 (0.52) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730783-B2 REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-6706765-B2 ESPECIALLY TRYPSIN-LIKE SERINE PROTEASES, SUCH AS CHYMOTRYPSIN, TRYPSIN, THROMBIN, PLASMIN AND FACTOR XA. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-03-16 US disclosed
US-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-01 US disclosed
US-6638931-B1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-28 US disclosed
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6518310-B2 Non-peptidic; inhibits trypsin-like protease, thrombin and embolus formation; anticoagulant 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-11 US disclosed
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-01 US disclosed
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 TSHR 579/4885KMT2A 2709/4885F2 27/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 TSHR 577/4885KMT2A 2493/4885F2 27/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 TSHR 685/4885KMT2A 2438/4885F2 32/4885

“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.