SCHEMBL1768653

SCHEMBL1768653

N[C@@H](CCNS(=O)(=O)N1CCCOCC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ GLA P06280 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ GRM8 O00222 1/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GSR P00390 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GRIK1 P39086 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 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
SCHEMBL1768655 1.00 ALDH1A1 (0.37) ALDH1A1GLACYP2C9TSHRSMN1; SMN2
SCHEMBL1768405 0.95 ALDH1A1 (0.40) ALDH1A1GLATSHRSMN1; SMN2KDM4E
SCHEMBL1768402 0.95 ALDH1A1 (0.40) ALDH1A1GLATSHRSMN1; SMN2KDM4E
SCHEMBL1768936 0.87 DPP7 (0.40) ALDH1A1ACEGRM8GRM6GRIN2D
SCHEMBL1768934 0.87 DPP7 (0.40) ALDH1A1ACEGRM8GRM6GRIN2D
SCHEMBL13585327 0.87 PMP22 (0.39) ALDH1A1ACEGRM8GRM6GRIN2D
SCHEMBL13585323 0.87 PMP22 (0.39) ALDH1A1ACEGRM8GRM6GRIN2D
SCHEMBL1768659 0.86 TSHR (0.37) ALDH1A1GLATSHRSMN1; SMN2L3MBTL1
SCHEMBL1768657 0.86 TSHR (0.37) ALDH1A1GLATSHRSMN1; SMN2L3MBTL1
SCHEMBL13585221 0.86 DPP7 (0.42) ALDH1A1ACEGRM8GRM6GRIN2D

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-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 — — US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 — — US disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 — — EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 — — 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 ALDH1A1 3484/4885GLA 2835/4885CYP2C9 3612/4885

“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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