SCHEMBL1768659

SCHEMBL1768659

NC(CNS(=O)(=O)N1CCCOCC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ GLA P06280 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL1768657 1.00 TSHR (0.37) TSHRSMN1; SMN2L3MBTL1ALDH1A1GLA
SCHEMBL1768394 0.94 ALDH1A1 (0.38) TSHRSMN1; SMN2ALDH1A1GLACA12
SCHEMBL1768392 0.94 ALDH1A1 (0.38) TSHRSMN1; SMN2ALDH1A1GLACA12
SCHEMBL13585352 0.87 DPP7 (0.42) ALDH1A1GAADPP7HSD17B10KDM4E
SCHEMBL13584715 0.87 DPP7 (0.39) ALDH1A1DPP7
SCHEMBL13584712 0.87 DPP7 (0.39) ALDH1A1DPP7
SCHEMBL13585350 0.87 DPP7 (0.42) ALDH1A1GAADPP7HSD17B10KDM4E
SCHEMBL1768655 0.86 ALDH1A1 (0.37) TSHRSMN1; SMN2L3MBTL1ALDH1A1GLA
SCHEMBL1768653 0.86 ALDH1A1 (0.37) TSHRSMN1; SMN2L3MBTL1ALDH1A1GLA
SCHEMBL13584980 0.85 DPP7 (0.45) ALDH1A1POLBDPP7MEN1KMT2A

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 5 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
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 TSHR 963/4885SMN1; SMN2 1981/4885L3MBTL1 609/4885

“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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