Sugi Predict

Sugi Predict / Compounds / SCHEMBL2502467

SCHEMBL2502467

SCHEMBL2502467

Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Pd]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.50
▸ ACHE P22303 3/20 0.50
▸ ALDH1A1 P00352 4/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.37
▸ FTO Q9C0B1 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7811284 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL30058349 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL29700602 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL199961 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL29464227 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL138533 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL290288 0.97 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL29357701 0.97 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL4480 0.97 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL3127305 0.97 TSHR (0.53) TSHRACHEALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178305-B Light-induced carbene precursor compound and application thereof 南京大学 2024-10-22 — — CN claimed
CN-113036036-B Preparation method and application of benzothiadiazole molecular ternary electric storage device 苏州科技大学 2024-01-09 — — CN claimed
CN-110359097-B Method for obtaining On-DNA aromatic hydrocarbon compound through Suzuki coupling reaction in construction of DNA coding compound library 上海药明康德新药开发有限公司 2022-09-20 — — CN claimed
CN-110331447-B Method for preparing On-DNA aryl alkyne compound in construction of DNA coding compound library 上海药明康德新药开发有限公司 2022-05-27 — — CN claimed
CN-114502558-A Method for preparing activin receptor-like kinase inhibitors 缆图药品公司 2022-05-13 — — CN claimed
CN-113788824-A Pyridine compound 第一三共株式会社 2021-12-14 — — CN claimed
CN-110204695-B Narrow-band receptor type conjugated polymer containing low polyethylene glycol side chain structure and preparation method and application thereof 吉林大学 2021-02-26 — — CN claimed
CN-110606840-A Method for producing 5-alkynylpyridine compound 日产化学株式会社 2019-12-24 — — CN claimed
EP-1931655-A2 A PROCESS FOR THE PREPARATION OF SARTAN DERIVATIVES AND INTERMEDIATES USEFUL IN SUCH PROCESS KRKA, D.D., Novo Mesto (SI) 2008-06-18 — — EP claimed
EP-1776345-A2 A MULTICORE INDAZOLINONE LIBRARY The University Court of the University of St. Andrews (GB) 2007-04-25 — — EP claimed
WO-2005121096-A2 A MULTICORE INDAZOLINONE LIBRARY THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2005-12-22 — — WO claimed
US-6939985-B1 covalently coupling organic compounds by reacting an aromatic ring compound having a halogen or halogen-like substituent at a coupling position with a diboron derivative in the presence of a Group VIII metal catalyst and a base COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2005-09-06 — — US claimed
US-20020193604-A1 Aryl borates COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-12-19 — — US claimed
EP-0986541-A4 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMW SCIENT IND RES ORG (AU) 2002-08-14 — — EP claimed
US-20020032339-A1 ARYL BORATES BORON MOLECULAR LIMITED (AU) 2002-03-14 — — US claimed
US-6294688-B1 REACTING HYDROXY-PROTECTED EPOXIDE WITH FLUORINATED ALCOHOL IN PRESENCE OF PALLADIUM CATALYST TO PRODUCE ALCOHOL HAVING SAME STEREOCHEMISTRY AS STARTING MATERIAL HOFFMAN-LA ROCHE INC. 2001-09-25 — — US claimed
US-6291694-B1 REACTING EPOXY-UNSATURATED ESTER COMPOUND WITH FLUORINATED ALCOHOL IN PRESENCE OF PALLADIUM CATALYST TO PRODUCE VITAMIN D ANALOG COMPOUND HOFFMAN-LA ROCHE INC. 2001-09-18 — — US claimed
EP-1078931-A2 Process for the preparation of vitamin D analogues F. HOFFMANN-LA ROCHE AG (CH) 2001-02-28 — — EP claimed
EP-0986541-A1 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-03-22 — — EP claimed
WO-1998045265-A1 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-10-15 — — WO claimed

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-20020193604-A1 Aryl borates BRD4, ABL1, BRD3 TSHR 2306/4885ACHE 2773/4885ALDH1A1 1148/4885
US-20020032339-A1 ARYL BORATES TBCB, HAT1, UBE2B TSHR 2491/4885ACHE 3810/4885ALDH1A1 968/4885

“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.