SCHEMBL5753156

SCHEMBL5753156

CCCc1ccc(NS(=O)(=O)c2cccc(C)c2)c(=O)n1C(C(N)=O)C(C)ON=C(N)N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.49
F10 P00742 1/20 0.49
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
METAP2 P50579 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
FBP1 P09467 2/20 0.34
HPGD P15428 1/20 0.34
RAD52 P43351 1/20 0.33

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
SCHEMBL5755681 0.93 F2 (0.51) F2F10ALDH1A1SMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL5123584 0.88 F2 (0.46) F2F10ALDH1A1SMN1; SMN2MAPT
SCHEMBL5755831 0.88 F2 (0.56) F2F10ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL5851666 0.87 F2 (0.55) F2F10ALDH1A1SMN1; SMN2MAPT
SCHEMBL5754207 0.86 F2 (0.50) F2F10ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL5851567 0.86 F2 (0.49) F2F10ALDH1A1SMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL5125238 0.83 F2 (0.51) F2F10ALDH1A1SMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL5754232 0.82 F2 (0.46) F2F10ALDH1A1SMN1; SMN2MAPT
SCHEMBL5753624 0.80 F2 (0.46) F2F10MEN1LMNAKMT2A
SCHEMBL5755712 0.80 F2 (0.46) F2F10LMNAMETAP2

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
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-20030225115-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-12-04 US claimed
US-20030087921-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-08 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 (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-20030225115-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R F2 28/4885F10 127/4885ALDH1A1 3022/4885
US-20030087921-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R F2 28/4885F10 127/4885ALDH1A1 3022/4885
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.