SCHEMBL987816

SCHEMBL987816

O=Cc1cc(F)c(O)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.44
LCK P06239 1/20 0.40
XDH P47989 1/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A3 P47895 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
EGFR P00533 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL31063495 1.00 ERN1 (0.44) ERN1LCKXDHTRPA1ALDH1A3
SCHEMBL373244 0.84 ERN1 (0.52) ERN1LCKTRPA1PTPN2PTPN1
SCHEMBL1922945 0.84 ERN1 (0.52) ERN1XDH
SCHEMBL29396510 0.83 EGFR (0.50) ERN1XDHTRPA1PTPN1EGFR
SCHEMBL1005213 0.83 EGFR (0.50) ERN1XDHTRPA1PTPN1EGFR
SCHEMBL30822600 0.80 XDH (0.52) ERN1XDH
SCHEMBL1056033 0.80 XDH (0.52) ERN1XDH
SCHEMBL19655038 0.79 TRPA1 (0.38) ERN1LCKTRPA1PTPN2PTPN1
SCHEMBL19748916 0.78 ALDH1A1 (0.35) TRPA1ALDH1A3
SCHEMBL29655021 0.78 ALDH1A1 (0.35) TRPA1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
EP-4665458-A1 INHIBITING ALPHA V BETA8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed
WO-2024173572-A1 INHIBITING α vβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed
CN-116535361-A Substituted hydroxypyrimidine xanthine oxidase inhibitor and preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2023-08-04 CN disclosed
US-20230141569-A1 FLUORESCENT DYE, AND PREPARATION METHOD AND USES THEREOF FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2023-05-11 US disclosed
US-20230141569-A1 FLUORESCENT DYE, AND PREPARATION METHOD AND USES THEREOF FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2023-05-11 US disclosed
US-20230133910-A1 NEW METHOD FOR DETECTING AND QUANTIFYING RNA EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-05-04 US disclosed
US-20230133910-A1 NEW METHOD FOR DETECTING AND QUANTIFYING RNA EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-05-04 US disclosed
EP-4129985-A1 FLUORESCENT DYE, PREPARATION METHOD THEREFOR AND USE THEREOF Fluorescence Diagnosis (shanghai) Biotech Company Ltd. (CN) 2023-02-08 EP disclosed
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-08-16 US disclosed
EP-2480086-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 WO disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 US disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO 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-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 ERN1 3139/4885LCK 4349/4885XDH 258/4885
US-20230141569-A1 FLUORESCENT DYE, AND PREPARATION METHOD AND USES THEREOF DNASE1, DNA2, RNGTT ERN1 534/4885LCK 4099/4885XDH 1334/4885

“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.