Sugi Predict

Sugi Predict / Compounds / SCHEMBL2184545

SCHEMBL2184545

SCHEMBL2184545

CCOC(=O)C=C(N)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.61
▸ ALOX15 P16050 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.46
▸ TRPA1 O75762 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 3/20 0.39
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ SOAT1 P35610 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ GLO1 Q04760 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
SCHEMBL12602888 1.00 NPSR1 (0.61) NPSR1ALOX15ALDH1A1HCAR2TRPA1
SCHEMBL2184541 1.00 NPSR1 (0.61) NPSR1ALOX15ALDH1A1HCAR2TRPA1
Hydrochloric Acid SCHEMBL1145438 0.98 NPSR1 (0.59) NPSR1ALOX15ALDH1A1HCAR2TRPA1
Hydrochloric Acid SCHEMBL1145441 0.98 NPSR1 (0.59) NPSR1ALOX15ALDH1A1HCAR2TRPA1
SCHEMBL11816105 0.87 NPSR1 (0.48) NPSR1ALOX15ALDH1A1HCAR2TRPA1
SCHEMBL11816114 0.87 NPSR1 (0.48) NPSR1ALOX15ALDH1A1HCAR2TRPA1
SCHEMBL11819025 0.87 NPSR1 (0.53) NPSR1ALOX15ALDH1A1HCAR2TRPA1
SCHEMBL11819022 0.87 NPSR1 (0.53) NPSR1ALOX15ALDH1A1HCAR2TRPA1
SCHEMBL11444999 0.86 NPSR1 (0.57) NPSR1ALOX15ALDH1A1HCAR2TRPA1
SCHEMBL11740838 0.86 NPSR1 (0.47) NPSR1ALOX15ALDH1A1HCAR2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109294314-A A kind of epoxy acrylic cathode electrophoresis dope resin emulsion and preparation method thereof 中国海洋石油集团有限公司 2019-02-01 — — CN claimed
US-3951993-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 — — US claimed
CN-109294314-B Epoxy acrylic acid cathodic electrophoretic coating resin emulsion and preparation method thereof 中国海洋石油集团有限公司 2020-10-16 — — CN disclosed
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 — — US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 — — US disclosed
CN-103965042-B A kind of synthetic method of ethoxy ethyl acrylate ZHEJIANG TONGFENG PHARMACEUTICAL CHEMICAL CO., LTD. (CN) 2015-09-30 — — CN disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 — — US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 — — US disclosed
CN-103965042-A Synthetic method of ethyl ethoxy acrylate ZHEJIANG TONGFENG PHARMACEUTICAL & CHEMICAL CO LTD 2014-08-06 — — CN disclosed
US-8765757-B2 3-heterocyclic substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-07-01 — — US disclosed
EP-2222660-B1 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2014-03-26 — — EP disclosed
US-4000294-A DIURESIS OR SALURESIS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 — — US disclosed
US-3992545-A ANTIHYPERTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 — — US disclosed
US-3992404-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 — — US disclosed
US-3985886-A ANTIHYPERTENSIVE AGENTS, CORONARY VESSEL DILATORS; 2-AMINO-4,5-DIHYDROPYRIDINE-3,5-DICARBOXYLATES BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 — — US disclosed
US-3978077-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (GB) 1976-08-31 — — US disclosed
US-3957814-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 — — US disclosed
US-3952008-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 — — US disclosed
US-3951993-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 — — US disclosed
US-3950528-A HYPOTENSIVE AGENTS, SALURETICS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 — — 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 (2 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-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M NPSR1 4814/4885ALOX15 1115/4885ALDH1A1 2194/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M NPSR1 4814/4885ALOX15 1115/4885ALDH1A1 2194/4885

“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.