Sugi Predict

Sugi Predict / Compounds / SCHEMBL288832

SCHEMBL288832

SCHEMBL288832

Nc1ccccc1C[C@@H](N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 3/20 0.60
▸ PKM P14618 2/20 0.60
▸ ALPI P09923 1/20 0.60
▸ PTGS1 P23219 1/20 0.60
▸ XIAP P98170 1/20 0.60
▸ NOS3 P29474 3/20 0.58
▸ NOS1 P29475 3/20 0.58
▸ NOS2 P35228 3/20 0.58
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ PMP22 Q01453 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ MPO P05164 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KYNU Q16719 2/20 0.51
▸ USP2 O75604 2/20 0.50

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
SCHEMBL29701247 1.00 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL385780 1.00 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL288377 1.00 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP
Phenylalanine SCHEMBL16397405 0.93 SLC7A5 (0.73) SLC7A5PKMALPIPTGS1XIAP
Dl-Phenylalanine SCHEMBL16397404 0.93 SLC7A5 (0.73) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL13971424 0.88 SLC7A5 (0.69) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL9164980 0.88 SLC7A5 (0.69) SLC7A5PKMALPIPTGS1XIAP
Hydrochloric Acid SCHEMBL9169793 0.86 SLC7A5 (0.67) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL13703210 0.85 PKM (0.52) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL10886402 0.83 NOS3 (0.41) SLC7A5PKMALPIPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 — — EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 — — US claimed
EP-3087094-B1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2022-06-01 — — EP disclosed
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 — — US disclosed
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors POLYPHOR AG (CH) 2019-04-30 — — US disclosed
US-20170369523-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS THAT ARE LIGANDS FOR G-PROTEIN-COUPLED RECEPTORS (GPCRS) AND ARE MODULATORS OF TRANSCRIPTION FACTORS AND COACTIVATORS POLYPHOR AG (CH) 2017-12-28 — — US disclosed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US disclosed
US-20160333053-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2016-11-17 — — US disclosed
EP-3087094-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS Polyphor AG (CH) 2016-11-02 — — EP disclosed
US-9284352-B2 Beta-hairpin peptidomimetics having CXCR4 antagonizing activity POLYPHOR AG (CH) 2016-03-15 — — US disclosed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 — — US disclosed
US-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2012-05-31 — — US disclosed
EP-2427476-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY Polyphor Ag (CH) 2012-03-14 — — EP disclosed
WO-2012016595-A1 β-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2012-02-09 — — WO disclosed
US-20110230426-A1 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR AG (CH) 2011-09-22 — — US disclosed
WO-2011066869-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2011-06-09 — — WO disclosed
EP-2324047-A2 TEMPLATE-FIXED PEPTIDOMIMETICS Polyphor Ag (CH) 2011-05-25 — — EP disclosed
WO-2010127704-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-11-11 — — WO disclosed
WO-2010015287-A2 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR AG (CH) 2010-02-11 — — 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 (7 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-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS CXCR4, CXCL12, CXCR6 SLC7A5 1427/4885PKM 2768/4885ALPI 4711/4885
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A SLC7A5 1600/4885PKM 2553/4885ALPI 2014/4885
US-20160333053-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS SERPINB1, ELANE, XPNPEP1 SLC7A5 1527/4885PKM 3920/4885ALPI 4162/4885
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 SLC7A5 2943/4885PKM 3826/4885ALPI 2549/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 SLC7A5 1527/4885PKM 3920/4885ALPI 4162/4885
US-20110230426-A1 TEMPLATE-FIXED PEPTIDOMIMETICS STAT6, NCOA1, UTS2R SLC7A5 3911/4885PKM 2794/4885ALPI 2591/4885
US-20170369523-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS THAT ARE LIGANDS FOR G-PROTEIN-COUPLED RECEPTORS (GPCRS) AND ARE MODULATORS OF TRANSCRIPTION FACTORS AND COACTIVATORS NCOA1, NCOA2, NCOR1 SLC7A5 4428/4885PKM 3883/4885ALPI 3896/4885

“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.