SCHEMBL1319486

SCHEMBL1319486

CC(C)C[C@H](NC(=O)[C@@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.71
▸ GNRHR P30968 2/20 0.65
▸ ABCC2 Q92887 1/20 0.64
▸ CXCR4 P61073 2/20 0.57
▸ C5AR1 P21730 1/20 0.57
▸ APLNR P35414 1/20 0.53
▸ KISS1R Q969F8 1/20 0.52

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
Triptorelin SCHEMBL1652722 0.98 PTGS1 (0.74) PTGS1GNRHRABCC2CXCR4C5AR1
Triptorelin SCHEMBL5079698 0.98 PTGS1 (0.74) PTGS1GNRHRABCC2CXCR4C5AR1
Triptorelin SCHEMBL16815056 0.98 PTGS1 (0.74) PTGS1GNRHRABCC2CXCR4C5AR1
Triptorelin SCHEMBL22289009 0.98 PTGS1 (0.74) PTGS1GNRHRABCC2CXCR4C5AR1
Triptorelin SCHEMBL1371630 0.98 PTGS1 (0.74) PTGS1GNRHRABCC2CXCR4C5AR1
SCHEMBL11678163 0.97 PTGS1 (0.73) PTGS1GNRHRABCC2CXCR4C5AR1
Triptorelin SCHEMBL29459903 0.96 PTGS1 (0.72) PTGS1GNRHRABCC2CXCR4C5AR1
SCHEMBL29373920 0.96 PTGS1 (0.72) PTGS1GNRHRABCC2CXCR4C5AR1
SCHEMBL29914777 0.96 PTGS1 (0.72) PTGS1GNRHRABCC2CXCR4C5AR1
Gonadorelin SCHEMBL143114 0.96 PTGS1 (0.71) PTGS1GNRHRABCC2CXCR4C5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058442-B2 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-11-15 — — US disclosed
US-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2006-10-19 — — US disclosed
EP-1565185-A2 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2005-08-24 — — EP disclosed
WO-2004041151-A2 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2004-05-21 — — 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-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them FECH, HMOX1, FTH1 PTGS1 1372/4885GNRHR 4016/4885ABCC2 2309/4885

“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.

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