SCHEMBL5709602

SCHEMBL5709602

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.51
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 3/20 0.36
CA2 P00918 8/20 0.36
CA12 O43570 6/20 0.36
CA1 P00915 6/20 0.36
CA9 Q16790 6/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.34
GRM4 Q14833 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MMP13 P45452 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
SCHEMBL7270552 0.83 KLK7 (0.44) KLK7TLR2TLR1ALDH1A1KMT2A
SCHEMBL29398857 0.83 KLK7 (0.53) KLK7TLR2TLR1ALDH1A1KMT2A
SCHEMBL29401167 0.82 KLK7 (0.61) KLK7TLR2TLR1ALDH1A1KMT2A
SCHEMBL3912355 0.82 KLK7 (0.61) KLK7TLR2TLR1ALDH1A1KMT2A
SCHEMBL10532627 0.80 KMT2A (0.43) KLK7TLR2TLR1ALDH1A1KMT2A
SCHEMBL5169290 0.80 ALDH1A1 (0.43) KLK7ALDH1A1KMT2ACA2CA1
SCHEMBL5709593 0.80 ALDH1A1 (0.43) KLK7ALDH1A1KMT2ACA2CA1
Trifluoroacetic Acid SCHEMBL3910234 0.77 KLK7 (0.41) KLK7TLR2TLR1ALDH1A1KMT2A
SCHEMBL7257138 0.75 MAPT (0.45) KLK7TLR2TLR1ALDH1A1KMT2A
SCHEMBL6163528 0.75 KLK7 (0.56) KLK7TLR2TLR1ALDH1A1KMT2A

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 KLK7 3083/4885TLR2 4806/4885TLR1 4834/4885

“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.