SCHEMBL2104795

SCHEMBL2104795

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ANPEP P15144 1/20 0.38
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL1769489 1.00 ALDH1A1 (0.41) ALDH1A1CA12CA7CA14LMNA
SCHEMBL1769535 0.94 TSHR (0.40) ALDH1A1CA12CA7CA14LMNA
SCHEMBL1769540 0.94 TSHR (0.40) ALDH1A1CA12CA7CA14LMNA
SCHEMBL1768430 0.85 LMNA (0.46) ALDH1A1CA12CA7CA14LMNA
SCHEMBL1768432 0.85 LMNA (0.46) ALDH1A1CA12CA7CA14LMNA
SCHEMBL13585217 0.84 DPP7 (0.46) TSHRDPP7
SCHEMBL13585384 0.84 DPP7 (0.42) TSHRDPP7
SCHEMBL13585214 0.84 DPP7 (0.46) TSHRDPP7
SCHEMBL13585382 0.84 DPP7 (0.42) TSHRDPP7
SCHEMBL13585764 0.82 DPP7 (0.49) ALDH1A1TSHRDPP7

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-1819667-B1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2012-10-17 EP disclosed
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 US 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 (2 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 3484/4885CA12 1013/4885CA7 883/4885
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB ALDH1A1 2409/4885CA12 811/4885CA7 290/4885

“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.