SCHEMBL1024311

SCHEMBL1024311

O=C(O)C[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.61
HTT P42858 1/20 0.61
TGM2 P21980 1/20 0.55
DPP8 Q6V1X1 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
SIRT5 Q9NXA8 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53

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
SCHEMBL6653860 0.99 FOLH1 (0.60) FOLH1HTTTGM2DPP8DPP7
SCHEMBL7064119 0.99 FOLH1 (0.60) FOLH1HTTTGM2DPP8DPP7
SCHEMBL6652290 0.96 HTT (0.63) FOLH1HTTTGM2LMNASMN1; SMN2
SCHEMBL6649610 0.96 HTT (0.63) FOLH1HTTTGM2LMNASMN1; SMN2
SCHEMBL6650374 0.91 HTT (0.58) FOLH1HTTLMNASMN1; SMN2
SCHEMBL19285611 0.91 HTT (0.58) FOLH1HTTLMNASMN1; SMN2
SCHEMBL6650048 0.90 HTT (0.55) FOLH1HTTTGM2SIRT5LMNA
SCHEMBL20556328 0.90 SYK (0.63) FOLH1HTTSIRT5
SCHEMBL20556374 0.90 SYK (0.63) FOLH1HTTSIRT5
SCHEMBL1022850 0.90 MAPT (0.66) FOLH1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
EP-1117652-B1 TAN-1057 DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-05-26 EP disclosed
US-6617332-B1 Cyclic amidinourea derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-09-09 US disclosed
EP-1117652-A1 TAN-1057 DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-07-25 EP disclosed
WO-2000012484-A1 TAN-1057 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-09 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 (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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC FOLH1 3157/4885HTT 1796/4885TGM2 1167/4885

“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.