SCHEMBL1851220

SCHEMBL1851220

CC(C)CN(CCC[C@H](N)C(=O)O)CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 7/20 0.53
▸ NOS1 P29475 6/20 0.53
▸ NOS3 P29474 5/20 0.53
▸ GSR P00390 1/20 0.47
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.45
▸ 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 2/20 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

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
SCHEMBL17381816 0.82 GSR (0.48) NOS2NOS1NOS3GSRSLC1A3
SCHEMBL20993880 0.82 GSR (0.48) NOS2NOS1NOS3GSRSLC1A3
SCHEMBL126967 0.81 NOS1 (0.56) NOS2NOS1NOS3GSRCYP2C19
SCHEMBL23682855 0.81 NOS1 (0.56) NOS2NOS1NOS3GSRCYP2C19
SCHEMBL25662318 0.81 NOS1 (0.56) NOS2NOS1NOS3GSRCYP2C19
SCHEMBL1527395 0.80 NOS2 (0.65) NOS2NOS1NOS3GSRSLC1A3
SCHEMBL25629375 0.80 NOS2 (0.65) NOS2NOS1NOS3GSRSLC1A3
SCHEMBL1527394 0.80 NOS2 (0.65) NOS2NOS1NOS3GSRSLC1A3
SCHEMBL15592476 0.80 GSR (0.64) NOS2NOS1NOS3GSRSLC1A3
SCHEMBL13343952 0.80 GSR (0.64) NOS2NOS1NOS3GSRSLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786078-B2 Template-fixed δ-hairpin peptidomimetics with CXCR4 antagonizing activity POLYPHOR LTD. (CH) 2010-08-31 — — US claimed
US-10730912-B2 Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD. (CH) 2020-08-04 — — US disclosed
US-10562933-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity POLYPHOR LTD. (CH) 2020-02-18 — — US disclosed
US-20190002498-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY POLYPHOR LTD (CH) 2019-01-03 — — US disclosed
US-10100084-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity POLYPHOR LTD. (CH) 2018-10-16 — — US disclosed
US-10000535-B2 Template-fixed peptidomimetics POLYPHOR LTD. (CH) 2018-06-19 — — US disclosed
US-20170107259-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIMICROBIAL ACTIVITY POLYPHOR LTD. (CH) 2017-04-20 — — US disclosed
US-9596852-B2 Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD. (CH) 2017-03-21 — — US disclosed
US-9538752-B2 Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD. (CH) 2017-01-10 — — US disclosed
US-9518092-B2 Template-fixed beta-hairpin peptidomimetics with CXCR4 antagonizing activity POLYPHOR LTD. (CH) 2016-12-13 — — US disclosed
US-20110245155-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR LTD. (CH) 2011-10-06 — — US disclosed
US-20110230426-A1 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR AG (CH) 2011-09-22 — — US disclosed
US-20110135576-A1 DYE CONJUGATES OF TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR LTD. (CH) 2011-06-09 — — US disclosed
EP-2324047-A2 TEMPLATE-FIXED PEPTIDOMIMETICS Polyphor Ag (CH) 2011-05-25 — — EP disclosed
US-20100240592-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIMICROBIAL ACTIVITY POLYPHOR LTD. (CH) 2010-09-23 — — US disclosed
US-7786078-B2 Template-fixed δ-hairpin peptidomimetics with CXCR4 antagonizing activity POLYPHOR LTD. (CH) 2010-08-31 — — US disclosed
US-20100093644-A1 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR LTD. (CH) 2010-04-15 — — US disclosed
WO-2010015287-A2 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR AG (CH) 2010-02-11 — — WO disclosed
US-20090054345-A1 Template-Fixed Beta-Hairpin Peptidomimetics With Protease Inhibitory Activity POLYPHOR LTD. (CH) 2009-02-26 — — US disclosed
US-20070078079-A1 Template-fixed beta-hairpin peptidomimetics with cxcr4 antagonizing activity POLYPHOR LTD. (CH) 2007-04-05 — — 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 (13 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-20070078079-A1 Template-fixed beta-hairpin peptidomimetics with cxcr4 antagonizing activity CXCR4, CXCL12, CCR5 NOS2 4111/4885NOS1 3944/4885NOS3 4386/4885
US-10100084-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity CTSG, CTRL, PREP NOS2 4564/4885NOS1 4287/4885NOS3 4360/4885
US-20190002498-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY CTSG, CTRL, PREP NOS2 4564/4885NOS1 4287/4885NOS3 4360/4885
US-20110245155-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY CXCR4, CXCL12, CCR5 NOS2 4117/4885NOS1 3938/4885NOS3 4386/4885
US-20110135576-A1 DYE CONJUGATES OF TEMPLATE-FIXED PEPTIDOMIMETICS CXCR4, CXCL12, CXCR1 NOS2 4050/4885NOS1 3595/4885NOS3 4147/4885
US-20170107259-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIMICROBIAL ACTIVITY POLL, POLM, POLR1C NOS2 1717/4885NOS1 1201/4885NOS3 2390/4885
US-20110230426-A1 TEMPLATE-FIXED PEPTIDOMIMETICS STAT6, NCOA1, UTS2R NOS2 2930/4885NOS1 2538/4885NOS3 3819/4885
US-20100240592-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIMICROBIAL ACTIVITY POLL, POLM, POLR1C NOS2 1803/4885NOS1 1148/4885NOS3 2499/4885
US-10000535-B2 Template-fixed peptidomimetics CCR10, CXCR3, CCR5 NOS2 4574/4885NOS1 4454/4885NOS3 4496/4885
US-10730912-B2 Template-fixed peptidomimetics with antimicrobial activity POLL, POLM, POLR1C NOS2 1767/4885NOS1 1228/4885NOS3 2431/4885
US-10562933-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity CTSG, CTRL, PREP NOS2 4564/4885NOS1 4287/4885NOS3 4360/4885
US-20090054345-A1 Template-Fixed Beta-Hairpin Peptidomimetics With Protease Inhibitory Activity CTRL, CTSG, CTSZ NOS2 4522/4885NOS1 4020/4885NOS3 4316/4885
US-20100093644-A1 TEMPLATE-FIXED PEPTIDOMIMETICS CCR10, CXCR3, CCR1 NOS2 4660/4885NOS1 4491/4885NOS3 4562/4885

“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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