SCHEMBL5709593

SCHEMBL5709593

Cc1ccc(S(=O)(=O)n2cnc(C[C@H](N)C(N)=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.40
KLK7 P49862 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GRM4 Q14833 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.35
HTT P42858 2/20 0.35
ALDH3A1 P30838 1/20 0.35
NOD1 Q9Y239 1/20 0.35
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MDM2 Q00987 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL5169290 0.90 ALDH1A1 (0.43) ALDH1A1GAAKMT2AMAPTKLK7
SCHEMBL10532627 0.88 KMT2A (0.43) ALDH1A1GAAKMT2AMAPTKLK7
Trifluoroacetic Acid SCHEMBL3910234 0.84 KLK7 (0.41) ALDH1A1GAAKMT2AMAPTKLK7
SCHEMBL23482883 0.82 GAA (0.48) ALDH1A1GAAKMT2AMAPTKLK7
SCHEMBL7270552 0.81 KLK7 (0.44) ALDH1A1GAAKMT2AMAPTKLK7
SCHEMBL5709602 0.80 KLK7 (0.51) ALDH1A1GAAKMT2AMAPTKLK7
SCHEMBL7257138 0.80 MAPT (0.45) ALDH1A1GAAKMT2AMAPTKLK7
SCHEMBL271202 0.79 GAA (0.50) ALDH1A1GAAKMT2AMAPTCA1
Hydrochloric Acid SCHEMBL7327963 0.79 KLK7 (0.37) ALDH1A1GAAKMT2AMAPTKLK7
SCHEMBL4888192 0.78 PTGDR2 (0.49) ALDH1A1GAAKMT2AMAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1712227-A1 Amino diols useful in the treatment of Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-10-18 EP claimed
US-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease SCHOSTAREZ HEINRICH J (US) 2005-04-14 US claimed
EP-1448177-A1 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP claimed
WO-2003043618-A2 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO claimed
EP-1712227-A1 Amino diols useful in the treatment of Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-10-18 EP disclosed
US-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease SCHOSTAREZ HEINRICH J (US) 2005-04-14 US disclosed
EP-1448177-A1 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP disclosed
WO-2003043618-A2 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
US-5246959-A POLY(AMINOALKYL)AMINOCARBONYL AMINOACYL AMINODIOL AMINO ACID DERIVATIVES AS ANTI-HYPERTENSIVE AGENTS G. D. SEARLE & CO. (US) 1993-09-21 US disclosed
US-5229420-A Renin inhibitor G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5229369-A Aminoalkylaminocarbonyl aminodiol amino acid derivatives as anti-hypertensive agents G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
EP-0355331-A2 Poly(aminoalkyl)aminocarbonyl aminoacyl aminodiol amino acid derivatives as anti-hypertensive agents G.D. Searle & Co. (US) 1990-02-28 EP disclosed
US-4902706-A Aminoalkylaminocarbonyl aminodiol amino acid derivatives as antihypertensive agents G. D. SEARLE & CO. (US) 1990-02-20 US disclosed
US-4900745-A Poly(aminoalkyl)aminocarbonyl aminodiol amino acid derivatives as anti-hypertensive agents G. D. SEARLE & CO. (US) 1990-02-13 US disclosed
US-4900746-A RENIN INHIBITORS G. D. SEARLE & CO. (US) 1990-02-13 US disclosed
WO-1990000051-A1 ETHEREAL N-TERMINAL AMINODIOL AMINO ACID DERIVATIVES AS ANTI-HYPERTENSIVE AGENTS G.D. SEARLE & CO. (US) 1990-01-11 WO disclosed
WO-1990000052-A1 POLY(AMINOALKYL)AMINOCARBONYL AMINODIOL AMINO ACID DERIVATIVES AS ANTI-HYPERTENSIVE AGENTS G.D. SEARLE & CO. (US) 1990-01-11 WO disclosed
WO-1990000050-A1 AMINOALKYLAMINOCARBONYL AMINODIOL AMINO ACID DERIVATIVES AS ANTI-HYPERTENSIVE AGENTS G.D. SEARLE & CO. (US) 1990-01-11 WO disclosed
EP-0349922-A2 Aminoalkylaminocarbonyl aminodiol amino acid derivatives as anti-hypertensive agents G.D. Searle & Co. (US) 1990-01-10 EP disclosed
EP-0349921-A2 Etheral n-terminal aminodiol amino acid derivatives as anti-hypertensive agents G.D. Searle & Co. (US) 1990-01-10 EP 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-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease BACE1, BACE2, APP ALDH1A1 1048/4885GAA 100/4885KMT2A 3385/4885

“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.