Sugi Predict

Sugi Predict / Compounds / SCHEMBL946895

SCHEMBL946895

SCHEMBL946895

CCOC(=O)CC(=O)NC(C)(C)CC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.52
▸ MGAM O43451 1/20 0.52
▸ SI P14410 1/20 0.52
▸ MGAM2 Q2M2H8 1/20 0.52
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ PKM P14618 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ANO1 Q5XXA6 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL9711618 0.93 GAA (0.48) GAAMGAMSIMGAM2TSHR
SCHEMBL12106047 0.89 GAA (0.43) GAAMGAMSIMGAM2TSHR
SCHEMBL22446897 0.81 GAA (0.48) GAAMGAMSIMGAM2TSHR
SCHEMBL10056290 0.81 GAA (0.46) GAAMGAMSIMGAM2TSHR
SCHEMBL12108605 0.80 GAA (0.47) GAAMGAMSIMGAM2TSHR
SCHEMBL16268313 0.79 GAA (0.50) GAAMGAMSIMGAM2TSHR
SCHEMBL15903847 0.78 CYP1A2 (0.46) GAAMGAMSIMGAM2TSHR
SCHEMBL9304443 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18593098 0.77 GAA (0.52) GAAMGAMSIMGAM2TSHR
SCHEMBL19852267 0.77 GAA (0.42) GAAMGAMSIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 — — US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 — — US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 — — US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 — — US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 — — US disclosed
EP-3004118-B1 USE OF CONDENSED BENZO[B]THIAZINE DERIVATIVES AS CYTOPROTECTANTS ARANDA PHARMA LTD (FI) 2018-12-19 — — EP disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 — — WO disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 — — WO disclosed
US-9827249-B2 Use of condensed benzo[B]thiazine derivatives as cytoprotectants ARANDA PHARMA LTD (FI) 2017-11-28 — — US disclosed
US-9827249-B2 Use of condensed benzo[B]thiazine derivatives as cytoprotectants ARANDA PHARMA LTD (FI) 2017-11-28 — — US disclosed
EP-1660475-B1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 — — EP disclosed
US-7279575-B2 Pyrimidylpyrrole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2007-10-09 — — US disclosed
WO-2007068728-A2 N-SUBSTITUTED PYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-06-21 — — WO disclosed
US-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 — — US disclosed
EP-1660085-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 — — EP disclosed
EP-1660475-A1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 — — EP disclosed
US-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 — — US disclosed
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 — — US disclosed
WO-2005013986-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 — — WO disclosed
WO-2005014572-A1 PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 — — 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 (6 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-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors MAP3K6, MAP3K5, MAP4K2 GAA 1253/4885MGAM 3065/4885SI 4115/4885
US-20050043323-A1 Pyrimidylpyrrole derivatives active as kinase inhibitors TYMP, DTYMK, DCK GAA 921/4885MGAM 3222/4885SI 3721/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C GAA 904/4885MGAM 3872/4885SI 2967/4885
US-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP GAA 354/4885MGAM 103/4885SI 1855/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C GAA 904/4885MGAM 3872/4885SI 2967/4885
US-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors CDK2, MAP3K19, MAP3K7 GAA 3382/4885MGAM 4194/4885SI 4260/4885

“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.