SCHEMBL2235591

SCHEMBL2235591

NC(CCCNC1CC1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.50
GSR P00390 2/20 0.47
OTC P00480 1/20 0.46
NOS2 P35228 6/20 0.43
NOS1 P29475 4/20 0.43
NOS3 P29474 3/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ARG2 P78540 4/20 0.43
ARG1 P05089 3/20 0.43
CYP1A2 P05177 3/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
GLA P06280 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
DDAH1 O94760 1/20 0.41
BLM P54132 1/20 0.41
GRM8 O00222 1/20 0.41

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
SCHEMBL2235588 1.00 METAP1 (0.50) METAP1GSROTCNOS2NOS1
SCHEMBL2240987 0.95 GSR (0.50) METAP1GSROTCNOS2NOS1
SCHEMBL2240984 0.95 GSR (0.50) METAP1GSROTCNOS2NOS1
SCHEMBL2235419 0.89 METAP1 (0.45) METAP1GSROTCNOS2NOS1
SCHEMBL2235415 0.89 METAP1 (0.45) METAP1GSROTCNOS2NOS1
SCHEMBL2263297 0.86 GSR (0.46) METAP1GSROTCARG2ARG1
SCHEMBL2263302 0.86 GSR (0.46) METAP1GSROTCARG2ARG1
SCHEMBL2092242 0.84 OTC (0.40) METAP1GSROTCNOS2CYP2C19
SCHEMBL9338666 0.77 OTC (0.40) METAP1GSROTCNOS2NOS1
SCHEMBL7597963 0.77 OTC (0.47) METAP1GSROTCNOS2NOS1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753446-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2023-09-12 US disclosed
US-11629171-B2 Beta-hairpin peptidomimetics SPEXIS AG (CH) 2023-04-18 US disclosed
CN-115093463-A Beta-hairpin peptidomimetics 波利弗尔股份公司 2022-09-23 CN disclosed
EP-3201219-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-17 EP disclosed
EP-3201218-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-03 EP disclosed
CN-105324390-B Beta-hairpin peptidomimetics 波利弗尔股份公司 2021-10-19 CN disclosed
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS SPEXIS AG (CH) 2021-09-16 US disclosed
CN-105849119-B Beta-hairpin peptidomimetics 波利弗尔股份公司 2021-01-19 CN disclosed
US-10829520-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2020-11-10 US disclosed
CN-111770932-A Beta-hairpin peptidomimetics 波利弗尔股份公司 2020-10-13 CN disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
WO-2014161781-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2014-10-09 WO disclosed
WO-2014161782-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2014-10-09 WO disclosed
US-20140287986-A1 TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1 POLYPHOR AG (CH) 2014-09-25 US disclosed
EP-2764010-A1 TEMPLATE -FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1 Polyphor Ag (CH) 2014-08-13 EP disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
WO-2013050346-A1 TEMPLATE -FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1 POLYPHOR AG (CH) 2013-04-11 WO disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 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 (6 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-20140287986-A1 TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1 FPR1, FPR3, FPR2 METAP1 232/4885GSR 3282/4885OTC 4665/4885
US-11629171-B2 Beta-hairpin peptidomimetics POLL, POLQ, HBZ METAP1 709/4885GSR 2063/4885OTC 2440/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 METAP1 2007/4885GSR 2635/4885OTC 3134/4885
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, POLQ, POLM METAP1 695/4885GSR 2471/4885OTC 1843/4885
US-10829520-B2 Beta-hairpin peptidomimetics POLQ, POLL, POLM METAP1 594/4885GSR 2385/4885OTC 2966/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S METAP1 217/4885GSR 3549/4885OTC 3842/4885

“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.