SCHEMBL3622690

SCHEMBL3622690

CC[C@H](NC(=O)OC(C)(C)C)C(O)c1nc(-c2ccccc2)no1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FFAR1 O14842 1/20 0.44
PPARD Q03181 8/20 0.43
PPARA Q07869 8/20 0.43
ACACB O00763 5/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.42
KLK5 Q9Y337 1/20 0.41

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
SCHEMBL3622689 1.00 LMNA (0.44) LMNATSHRTDP1FFAR1PPARD
SCHEMBL5521975 1.00 LMNA (0.44) LMNATSHRTDP1FFAR1PPARD
SCHEMBL6676937 0.85 MAPT (0.42) LMNATSHRTDP1PPARDPPARA
SCHEMBL6676945 0.85 MAPT (0.42) LMNATSHRTDP1PPARDPPARA
SCHEMBL14427083 0.85 FFAR1 (0.47) LMNATSHRFFAR1
SCHEMBL14427110 0.83 LMNA (0.48) LMNATSHRTDP1FFAR1PPARD
SCHEMBL14427107 0.83 PPARD (0.52) LMNATSHRTDP1FFAR1PPARD
SCHEMBL29485563 0.82 TDP1 (0.61) TDP1PPARDPPARAACACB
SCHEMBL1610078 0.81 TDP1 (0.48) LMNATSHRTDP1FFAR1PPARD
SCHEMBL13937524 0.81 KLK5 (0.41) PPARAS1PR1S1PR3KLK5

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-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
EP-1697355-A2 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-09-06 EP disclosed
WO-2005063742-A2 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-07-14 WO disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS LMNA 1267/4885TSHR 4193/4885TDP1 3821/4885
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS LMNA 1267/4885TSHR 4193/4885TDP1 3821/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE LMNA 2126/4885TSHR 4517/4885TDP1 3740/4885

“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.