Sugi Predict

Sugi Predict / Compounds / SCHEMBL497561

SCHEMBL497561

SCHEMBL497561

[CH]c1ccc(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.54
▸ CA12 O43570 3/20 0.54
▸ CA1 P00915 3/20 0.54
▸ CA7 P43166 3/20 0.54
▸ CA9 Q16790 3/20 0.54
▸ CA14 Q9ULX7 3/20 0.54
▸ ACHE P22303 1/20 0.54
▸ TSHR P16473 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CA4 P22748 2/20 0.46
▸ CYP1A1 P04798 2/20 0.45
▸ CYP1B1 Q16678 2/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ NR3C1 P04150 1/20 0.45

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
SCHEMBL497560 1.00 CA2 (0.54) CA2CA12CA1CA7CA9
SCHEMBL17111425 0.83 PDE4B (0.42) CA2CA12CA1CA7CA9
SCHEMBL17111427 0.83 PDE4B (0.42) CA2CA12CA1CA7CA9
SCHEMBL2811536 0.82 CA2 (0.41) CA2CA12CA1CA7CA9
SCHEMBL364214 0.78 MAOB (0.61) CA2CA1TSHRALDH1A1CYP3A4
SCHEMBL212325 0.78 MAOB (0.61) CA2CA1TSHRALDH1A1CYP3A4
SCHEMBL2089921 0.78 GAA (0.43) ACHEALDH1A1POLBCYP2C9CYP2C19
SCHEMBL2089923 0.78 GAA (0.43) ACHEALDH1A1POLBCYP2C9CYP2C19
SCHEMBL9678687 0.78 SLC6A5 (0.46) ALDH1A1POLBCYP2C9CYP2C19MAPK1
SCHEMBL9678681 0.78 SLC6A5 (0.46) ALDH1A1POLBCYP2C9CYP2C19MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486966-A Method for synthesizing brassinolide 山东成武泽大泛科化工有限公司 2024-02-02 — — CN claimed
EP-1480943-A2 SYNTHESIS OF 3,5-DIHYDROXY-7-PYRROL-1-YL HEPTANOIC ACIDS Teva Pharmaceutical Industries Limited (IL) 2004-12-01 — — EP claimed
WO-2004046105-A2 SYNTHESIS OF 3,5-DIHYDROXY-7-PYRROL-1-YL HEPTANOIC ACIDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-06-03 — — WO claimed
US-4121036-A 3-Amino-2-Hydrazinopyridine derivatives MORTON-NORWICH PRODUCTS, INC. (US) 1978-10-17 — — US claimed
US-4121035-A 5-Amino-2-hydrazinopyridine and derivatives thereof MORTON-NORWICH PRODUCTS, INC. (US) 1978-10-17 — — US claimed
CN-117999057-A Improved perfume compositions comprising sulfur-containing fragrance precursor compounds 弗门尼舍有限公司 2024-05-07 — — CN disclosed
CN-117486966-A Method for synthesizing brassinolide 山东成武泽大泛科化工有限公司 2024-02-02 — — CN disclosed
CN-112386604-A Modulators of cGAS 纪念斯隆-凯特琳癌症中心 2021-02-23 — — CN disclosed
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-11-14 — — US disclosed
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 — — US disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 — — US disclosed
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-07-27 — — US disclosed
WO-1996023801-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1996-08-08 — — WO disclosed
WO-1996014314-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1996-05-17 — — WO disclosed
US-5422360-A Hydrazonoimidazolidin-4-one derivatives; treatment of diabetes and aging disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-06 — — US disclosed
EP-0531812-A1 Maillard reaction inhibitor, process for producing it, composition containing it and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 — — EP disclosed
US-4931575-A Chiral glycerol derivatives THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1990-06-05 — — US disclosed
WO-1989000160-A1 ENANTIOMERICALLY PURE TETRAHYDROFURAN COMPOUNDS AND A METHOD FOR THEIR PREPARATION ANDERSEN, HENRIK, RASTRUP (DK) 1989-01-12 — — WO disclosed
US-4121035-A 5-Amino-2-hydrazinopyridine and derivatives thereof MORTON-NORWICH PRODUCTS, INC. (US) 1978-10-17 — — US disclosed
US-4121036-A 3-Amino-2-Hydrazinopyridine derivatives MORTON-NORWICH PRODUCTS, INC. (US) 1978-10-17 — — 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 (4 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-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA CA2 3233/4885CA12 4458/4885CA1 4095/4885
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA CA2 3233/4885CA12 4458/4885CA1 4095/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA CA2 3233/4885CA12 4458/4885CA1 4095/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA CA2 3233/4885CA12 4458/4885CA1 4095/4885

“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.