SCHEMBL5754207

SCHEMBL5754207

Cc1cccc(S(=O)(=O)Nc2ccc(C(C)C)n(C(C(N)=O)C(C)ON=C(N)N)c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.50
F10 P00742 1/20 0.50
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
METAP2 P50579 1/20 0.39
HPGD P15428 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MCL1 Q07820 1/20 0.35
RAD52 P43351 1/20 0.35
FBP1 P09467 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
SLC10A2 Q12908 1/20 0.34
SLC10A1 Q14973 1/20 0.34
SLC10A6 Q3KNW5 1/20 0.34

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 SCHEMBL5851567 0.99 F2 (0.49) F2F10ALDH1A1MAPTMEN1
Trifluoroacetic Acid SCHEMBL5754232 0.95 F2 (0.46) F2F10ALDH1A1MAPTMEN1
SCHEMBL5755831 0.91 F2 (0.56) F2F10ALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL5851666 0.90 F2 (0.55) F2F10ALDH1A1MAPTMEN1
SCHEMBL5755681 0.88 F2 (0.51) F2F10ALDH1A1MAPTMEN1
Trifluoroacetic Acid SCHEMBL5125238 0.88 F2 (0.51) F2F10ALDH1A1MAPTMEN1
SCHEMBL5753156 0.86 F2 (0.49) F2F10ALDH1A1MAPTMEN1
Trifluoroacetic Acid SCHEMBL5123584 0.85 F2 (0.46) F2F10ALDH1A1MAPTMEN1
SCHEMBL5754193 0.84 F2 (0.45) F2F10ALDH1A1MEN1KMT2A
SCHEMBL5755712 0.82 F2 (0.46) F2F10LMNAMETAP2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036063-B1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-11-02 EP claimed
US-7029654-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2006-04-18 US claimed
US-20040106633-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-06-03 US claimed
US-6706021-B2 ANTICOAGULANT FOR CATHETERS, DIALYSIS MACHINES, SYRINGES, TUBES, BLOOD LINES AND STENTS; TRYPSIN-LIKE SERINE PROTEASES SUCH AS THROMBIN; 3-BENZYLSULFONYLAMINO-6-METHYL-1-((2-GUANIDINOOXYETHYL) AMINOCARBONYLMETHYL)-2-PYRIDINONE 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-03-16 US claimed
US-6350764-B2 FOR INHIBITING LOSS OF BLOOD PLATELETS; INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, FIBRIN, THROMBUS, AND EMBOLUS; ANTICOAGULANTS EMBEDDED IN DEVICES FOR BLOOD COLLECTION, CIRCULATION, STORAGE (CATHETERS, DIALYSIS MACHINES); STENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-26 US claimed
US-6037356-A ANTICOAGULANTS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-14 US claimed

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-20040106633-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 F2 27/4885F10 125/4885ALDH1A1 3044/4885

“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.