Sugi Predict

Sugi Predict / Compounds / SCHEMBL204187

SCHEMBL204187

SCHEMBL204187

CCOC(=O)C(C)(N)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ KMT2A Q03164 6/20 0.47
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ S1PR4 O95977 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HPGD P15428 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL6135476 1.00 NPSR1 (0.50) NPSR1LMNACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL6135621 1.00 NPSR1 (0.50) NPSR1LMNACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL8907388 0.86 CNR2 (0.44) NPSR1LMNACYP1A2SMN1; SMN2CYP2C9
SCHEMBL13070710 0.83 TSHR (0.40) NPSR1LMNACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL2490473 0.83 CYP3A4 (0.58) NPSR1CYP1A2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL18982867 0.83 ALDH1A1 (0.49) NPSR1LMNACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL9211 0.83 ALDH1A1 (0.49) NPSR1LMNACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL1455978 0.83 PIN1 (0.51) NPSR1SMN1; SMN2ALDH1A1CYP2C19KMT2A
SCHEMBL27731921 0.83 PIN1 (0.51) NPSR1SMN1; SMN2ALDH1A1CYP2C19KMT2A
SCHEMBL27752471 0.83 PIN1 (0.51) NPSR1SMN1; SMN2ALDH1A1CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof GENENTECH, INC. (US) 2022-02-08 — — US disclosed
US-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof GENENTECH, INC. (US) 2022-02-08 — — US disclosed
US-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2021-10-07 — — US disclosed
US-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2021-10-07 — — US disclosed
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 — — CN disclosed
EP-3700901-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2020-09-02 — — EP disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 — — EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 — — US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 — — EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 — — WO disclosed
CN-1104420-C Salts of ethyl 3 -(2 -(4 -(4 -(amino-imino-methyl) phenyl) -4 -methyl -2, 5 -dioxo -imidazolidin -1 -yl) acetylamino) -3 -phenylpropionate HOECHST AG (DE) 2003-04-02 — — CN disclosed
CN-1174835-A Salts of ethyl 3 -(2 -(4 -(4 -(amino-imino-methyl) phenyl) -4 -methyl -2, 5 -dioxo -imidazolidin -1 -yl) acetylamino) -3 -phenylpropionate HOECHST AG (DE) 1998-03-04 — — CN 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 (3 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-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF VHL, MDM2, CUL2 NPSR1 3738/4885LMNA 2919/4885CYP1A2 4076/4885
US-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof VHL, MDM2, CUL2 NPSR1 3738/4885LMNA 2919/4885CYP1A2 4076/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPSR1 4462/4885LMNA 1353/4885CYP1A2 3826/4885

“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.