Sugi Predict

Sugi Predict / Compounds / SCHEMBL289127

SCHEMBL289127

SCHEMBL289127

CC(OCc1ccccc1)[C@H](N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 10/20 0.68
▸ SLC1A2 P43004 9/20 0.68
▸ SLC1A3 P43003 8/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ SLC15A1 P46059 1/20 0.49
▸ MMP9 P14780 2/20 0.47
▸ MMP8 P22894 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ ALPI P09923 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ XIAP P98170 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ LTA4H P09960 1/20 0.44
▸ RCE1 Q9Y256 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
SCHEMBL288385 1.00 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL31606672 1.00 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL18325959 1.00 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL14037383 1.00 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL8464720 1.00 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL288386 1.00 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL562232 1.00 SLC1A1 (0.68) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
Hydrochloric Acid SCHEMBL20820005 0.98 SLC1A1 (0.66) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
Hydrochloric Acid SCHEMBL15670199 0.98 SLC1A1 (0.66) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
Hydrochloric Acid SCHEMBL3334189 0.98 SLC1A1 (0.66) SLC1A1SLC1A2SLC1A3MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114324703-B Method for simultaneously detecting multiple amino acids 杭州朱养心药业有限公司 2022-08-30 — — CN claimed
CN-114324703-A Method for simultaneously detecting multiple amino acids 杭州朱养心药业有限公司 2022-04-12 — — CN claimed
CN-113788877-A Novel insect kinin analogs and application thereof in aphid control 中国农业大学 2021-12-14 — — CN claimed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 — — US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 — — EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 — — EP claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 — — US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 — — EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 — — EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 — — WO claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 — — US claimed
EP-2499148-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2012-09-19 — — EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 — — US claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 — — WO claimed
CN-113788877-B Novel insect kinin analogues and application thereof in aphid control 中国农业大学 2023-11-21 — — CN disclosed
US-11632948-B2 Recrystallization inhibitor THE UNIVERSITY OF WARWICK (GB) 2023-04-25 — — US disclosed
US-4051171-A Vinylbenzyl esters of N-BOC-amino acids MORTON-NORWICH PRODUCTS, INC. (US) 1977-09-27 — — US disclosed
US-4033998-A Vinylbenzyl ester of an N-BOC amino acid MORTON-NORWICH PRODUCTS, INC. (US) 1977-07-05 — — US disclosed
US-4022760-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 — — 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 (5 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A SLC1A1 2314/4885SLC1A2 1491/4885SLC1A3 2430/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS SLC1A1 1137/4885SLC1A2 2178/4885SLC1A3 686/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 SLC1A1 880/4885SLC1A2 1260/4885SLC1A3 1506/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS SLC1A1 1137/4885SLC1A2 2178/4885SLC1A3 686/4885
US-11632948-B2 Recrystallization inhibitor NOTUM, PPIF, FKBP5 SLC1A1 2337/4885SLC1A2 1348/4885SLC1A3 1538/4885

“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.