Sugi Predict

Sugi Predict / Compounds / SCHEMBL1769034

SCHEMBL1769034

SCHEMBL1769034

N[C@@H](Cc1ncccn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 4/20 0.53
▸ PKM P14618 3/20 0.53
▸ PTGS1 P23219 2/20 0.53
▸ ALPI P09923 1/20 0.53
▸ XIAP P98170 1/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ HSD17B10 Q99714 3/20 0.49
▸ CYP3A4 P08684 2/20 0.44
▸ USP2 O75604 3/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ THPO P40225 1/20 0.44

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
SCHEMBL21689933 1.00 SLC7A5 (0.53) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL1769036 1.00 SLC7A5 (0.53) SLC7A5PKMPTGS1ALPIXIAP
Hydrochloric Acid SCHEMBL20502478 0.98 SLC7A5 (0.52) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL5285402 0.80 ARG1 (0.44) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL31754299 0.79 SLC7A5 (0.45) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL5285445 0.78 SLC7A5 (0.46) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL22409316 0.77 PTPRA (0.67) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL126509 0.77 PTPRA (0.67) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL126508 0.77 PTPRA (0.67) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL29039963 0.77 NLRP3 (0.41) ALDH1A1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 — — US claimed
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
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 — — 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
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 — — US disclosed
US-20160052971-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2016-02-25 — — US 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-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 — — US disclosed
WO-2013050346-A1 TEMPLATE -FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1 POLYPHOR AG (CH) 2013-04-11 — — WO 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
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 — — US disclosed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 — — EP 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 (8 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 SLC7A5 3559/4885PKM 3252/4885PTGS1 31/4885
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR SLC7A5 2832/4885PKM 4395/4885PTGS1 3110/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR SLC7A5 2832/4885PKM 4395/4885PTGS1 3110/4885
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 SLC7A5 1767/4885PKM 3654/4885PTGS1 1952/4885
US-11629171-B2 Beta-hairpin peptidomimetics POLL, POLQ, HBZ SLC7A5 1303/4885PKM 262/4885PTGS1 4119/4885
US-20160052971-A1 BETA-HAIRPIN PEPTIDOMIMETICS C1S, POLL, BACE1 SLC7A5 2721/4885PKM 353/4885PTGS1 2597/4885
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, POLQ, POLM SLC7A5 1534/4885PKM 196/4885PTGS1 4231/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S SLC7A5 3020/4885PKM 335/4885PTGS1 2168/4885

“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.