Sugi Predict

Sugi Predict / Compounds / SCHEMBL2228752

SCHEMBL2228752

SCHEMBL2228752

O=C(O)N[C@H](CO)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.48
▸ SLC1A1 P43005 1/20 0.47
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MMP9 P14780 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ MME P08473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CTRB1 P17538 1/20 0.42

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
SCHEMBL5470004 1.00 FOLH1 (0.48) FOLH1SLC1A1CA1CA2CA7
SCHEMBL15716271 1.00 FOLH1 (0.48) FOLH1SLC1A1CA1CA2CA7
SCHEMBL16758733 0.92 FOLH1 (0.51) FOLH1SLC1A1CA1CA2CA7
SCHEMBL28000849 0.87 CTRB1 (0.52) FOLH1SLC1A1CA1CA2CA7
SCHEMBL28000850 0.87 CTRB1 (0.52) FOLH1SLC1A1CA1CA2CA7
SCHEMBL10187034 0.86 CTRB1 (0.59) CA1CA2CA9SMN1; SMN2CTRB1
SCHEMBL23396215 0.85 HTT (0.48) FOLH1SLC1A1CA1CA2CA7
SCHEMBL4206057 0.85 HTT (0.48) FOLH1SLC1A1CA1CA2CA7
SCHEMBL1565052 0.85 HTT (0.48) FOLH1SLC1A1CA1CA2CA7
SCHEMBL3354066 0.84 SMN1; SMN2 (0.47) FOLH1CYP3A4MAPK1TSHRHTT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 — — US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 — — US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 — — EP disclosed
US-8895497-B2 Cathepsin S inhibitors DCB-USA, LLC (US) 2014-11-25 — — US disclosed
EP-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 — — EP disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 — — US disclosed
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 — — US disclosed
US-20100113388-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 — — US disclosed
US-7683094-B2 8-azaprostaglandin derivative compound and agent comprising the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 — — US disclosed
WO-2009038411-A2 BETA-SECRETASE INHIBITING COMPOUNDS HAVING OXO-DIHYDRO-PYRAZOLE MOIETY LG LIFE SCIENCES, LTD. (KR) 2009-03-26 — — WO disclosed
US-20090042885-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-12 — — US disclosed
US-7402605-B2 8-azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 — — US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 — — US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 — — EP disclosed
US-20050124577-A1 8-Azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-09 — — US disclosed
EP-1481976-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-01 — — 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 (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-20050124577-A1 8-Azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient PTGER2, PTGIS, HPGDS FOLH1 2843/4885SLC1A1 4699/4885CA1 4244/4885
US-20090042885-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT PTGER2, PTGIS, HPGDS FOLH1 2768/4885SLC1A1 4736/4885CA1 4074/4885
US-20060270693-A1 Ether derivative UROD, IL5, IL17A FOLH1 1608/4885SLC1A1 3617/4885CA1 1300/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL FOLH1 318/4885SLC1A1 2110/4885CA1 3021/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 FOLH1 2171/4885SLC1A1 2955/4885CA1 2191/4885
US-20110166141-A1 CATHEPSIN S INHIBITORS CTSS, CTSV, CTSB FOLH1 159/4885SLC1A1 2679/4885CA1 417/4885
US-20100113388-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT PTGER2, PTGIS, HPGDS FOLH1 2768/4885SLC1A1 4736/4885CA1 4074/4885

“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.