Sugi Predict

Sugi Predict / Compounds / SCHEMBL1768430

SCHEMBL1768430

SCHEMBL1768430

N[C@@H](CCS(=O)(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ PMP22 Q01453 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ANPEP P15144 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ GCLC P48506 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRM8 O00222 1/20 0.37
▸ GRM6 O15303 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GSR P00390 1/20 0.37

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
SCHEMBL1768432 1.00 LMNA (0.46) LMNAALDH1A1PMP22KDM4EHSD17B10
SCHEMBL12521728 0.94 LMNA (0.42) LMNAALDH1A1PMP22KDM4EHSD17B10
SCHEMBL12521725 0.94 LMNA (0.42) LMNAALDH1A1PMP22KDM4EHSD17B10
SCHEMBL2104795 0.85 ALDH1A1 (0.41) LMNAALDH1A1KDM4EHSD17B10ANPEP
SCHEMBL1769489 0.85 ALDH1A1 (0.41) LMNAALDH1A1KDM4EHSD17B10ANPEP
SCHEMBL1768504 0.84 PMP22 (0.47) ALDH1A1PMP22GCLCCYP1A2GRM8
SCHEMBL13585245 0.84 PMP22 (0.47) ALDH1A1PMP22GCLCCYP1A2GRM8
SCHEMBL1768638 0.84 PMP22 (0.47) ALDH1A1PMP22TSHRGCLCCYP1A2
SCHEMBL13585377 0.84 PMP22 (0.47) ALDH1A1PMP22TSHRGCLCCYP1A2
SCHEMBL13584948 0.83 DPP7 (0.47) ALDH1A1PMP22TSHRGCLCCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 — — CN disclosed
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
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY 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 LMNA 2407/4885ALDH1A1 3484/4885PMP22 1622/4885

“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.