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Sugi Predict / Compounds / SCHEMBL5371795

SCHEMBL5371795

SCHEMBL5371795

C/C=C/C(=O)N1C(=O)OC[C@@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RIPK1 Q13546 2/20 0.39
▸ NAAA Q02083 1/20 0.38
▸ IDH1 O75874 6/20 0.37
▸ AVPR1A P37288 1/20 0.36
▸ GLS O94925 2/20 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
SCHEMBL5371801 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL28838633 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL5166307 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL874439 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL874440 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL23298241 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL874438 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL6951727 0.85 NPC1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3117948 0.85 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL6950966 0.85 NPC1 (0.43) ALDH1A1GAAHTTNPC1LMNA

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
EP-3686208-B1 INTERMEDIATES FOR PREPARING HALICHONDRIN COMPOUNDS AND PREPARATION METHOD THEREFOR BEIJING TIENYI LUFU PHARMATECH CO LTD (CN) 2021-12-08 — — EP disclosed
US-20210163509-A1 Intermediates useful in the preparation of halichondrin compounds and methods for preparing the same BEIJING TIENYI LUFU PHARMATECH CO. LTD. (CN) 2021-06-03 — — US disclosed
EP-3686208-A1 INTERMEDIATES FOR PREPARING HALICHONDRIN COMPOUNDS AND PREPARATION METHOD THEREFOR Beijing Tienyi Lufu Pharmatech Co. Ltd. (CN) 2020-07-29 — — EP disclosed
WO-2020119345-A1 INTERMEDIATES FOR PREPARING HALICHONDRIN COMPOUNDS AND PREPARATION METHOD THEREFOR 北京天一绿甫医药科技有限公司 2020-06-18 — — WO disclosed
US-9656963-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 — — US disclosed
US-9604964-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 — — US disclosed
EP-2925749-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 — — EP disclosed
EP-2925726-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 — — EP disclosed
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-13 — — US disclosed
US-20160280659-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-09-29 — — US disclosed
WO-2014078610-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 — — WO disclosed
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME LLC 2013-05-02 — — US disclosed
WO-2013063217-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2013-05-02 — — WO disclosed
WO-2013063217-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2013-05-02 — — WO disclosed
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME LLC 2013-05-02 — — US disclosed
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME LLC 2013-05-02 — — US disclosed
US-7390826-B2 Inhibitors of animal cell motility and growth THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-24 — — US disclosed
US-7390826-B2 Inhibitors of animal cell motility and growth THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-24 — — US disclosed
US-7309714-B2 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-12-18 — — US disclosed
US-20060111336-A1 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-05-25 — — 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-20160280659-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR35, GPR65 ALDH1A1 1544/4885GAA 4063/4885HTT 4054/4885
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR65, GPR35 ALDH1A1 1408/4885GAA 3939/4885HTT 3757/4885
US-20210163509-A1 Intermediates useful in the preparation of halichondrin compounds and methods for preparing the same ERLIN1, ERLIN2, MAN1B1 ALDH1A1 1342/4885GAA 932/4885HTT 395/4885
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR CETP, MTTP, APOB ALDH1A1 2901/4885GAA 1964/4885HTT 3240/4885
US-20060111336-A1 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 ALDH1A1 984/4885GAA 129/4885HTT 2484/4885

“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.