Sugi Predict

Sugi Predict / Compounds / SCHEMBL471990

SCHEMBL471990

SCHEMBL471990

N[C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.47
▸ ALPI P09923 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ XIAP P98170 1/20 0.47
▸ SLC1A1 P43005 4/20 0.46
▸ GRIA2 P42262 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CPB2 Q96IY4 5/20 0.40
▸ CPB1 P15086 4/20 0.40
▸ LTA4H P09960 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ SLC1A3 P43003 3/20 0.39
▸ SLC1A2 P43004 3/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL18071084 1.00 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5717628 0.92 SLC1A1 (0.40) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12903791 0.85 CPB2 (0.41) CPB2CPB1TRHDE
SCHEMBL4956555 0.83 ALPI (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL41832 0.83 ALPI (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL289025 0.83 ALPI (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6287836 0.82 LTA4H (0.45) LTA4HTRHDE
SCHEMBL6326552 0.81 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1939896 0.81 SLC1A5 (0.44) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL18468298 0.80 ITGB3 (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380407-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS WASHINGTON UNIVERSITY (US) 2022-12-01 — — US claimed
EP-3989997-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS Washington University (US) 2022-05-04 — — EP claimed
US-12590123-B2 Compounds and methods for treating cancer, viral infections, and allergic conditions WASHINGTON UNIVERSITY (US) 2026-03-31 — — US disclosed
US-20220380407-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS WASHINGTON UNIVERSITY (US) 2022-12-01 — — US disclosed
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2022-06-02 — — US disclosed
EP-3989997-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS Washington University (US) 2022-05-04 — — EP disclosed
US-10774114-B2 Respiratory syncytial virus (RSV) replication inhibitors FONDATION THE ARK (CH) 2020-09-15 — — US disclosed
WO-2019115611-A1 PEPTIDIC BB2 RECEPTOR AGONIST – SACCHARIDE FUNCTIONALISED CARBABORANE CONJUGATES UNIVERSITÄT LEIPZIG (DE) 2019-06-20 — — WO disclosed
US-20180193409-A1 PEPTIDYL TPOR ANTAGONISTS AND USES THEREOF POLYMERS CRC LIMITED (AU) 2018-07-12 — — US disclosed
US-20180148483-A2 Mu-Conotoxin Peptides And Use Thereof As A Local Anesthetic CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2018-05-31 — — US disclosed
EP-3128012-B1 PROCESS FOR PEROXYGENASE-CATALYZED CLEAVAGE OF BENZYLOXYCARBONYL PROTECTIVE GROUPS SANOFI AVENTIS DEUTSCHLAND (DE) 2018-01-31 — — EP disclosed
WO-2004099238-A1 NOVEL mu-CONOTOXIN PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2004-11-18 — — WO disclosed
WO-2004050688-A1 NOVEL χ-CONOTOXIN PEPTIDES (-II) XENOME LTD (AU) 2004-06-17 — — WO disclosed
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 — — EP disclosed
US-5179082-A Contacting with polypeptide with a specific sequence; cardiovascular surgery; antithrombin MERCK & CO., INC. (US) 1993-01-12 — — US disclosed
US-4885292-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 — — US disclosed
US-4757050-A Urea, amide group-containing E. R. SQUIBB SONS, INC. (US) 1988-07-12 — — US disclosed
US-4749781-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1988-06-07 — — US disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 — — EP disclosed
EP-0223437-A2 Aminocarbonyl renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-05-27 — — 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 (4 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-20180193409-A1 PEPTIDYL TPOR ANTAGONISTS AND USES THEREOF SCTR, QRFPR, NPY1R SLC7A5 221/4885ALPI 3705/4885PKM 3174/4885
US-12590123-B2 Compounds and methods for treating cancer, viral infections, and allergic conditions TMPRSS2, TMPRSS4, F2RL3 SLC7A5 1719/4885ALPI 1769/4885PKM 2313/4885
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF SLC7A5 3846/4885ALPI 890/4885PKM 3357/4885
US-20220380407-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS TMPRSS2, PRSS1, PRSS2 SLC7A5 2215/4885ALPI 2510/4885PKM 1747/4885

“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.