Sugi Predict

Sugi Predict / Compounds / SCHEMBL204305

SCHEMBL204305

SCHEMBL204305

COC(=O)c1cc(I)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.45
▸ TTBK1 Q5TCY1 1/20 0.42
▸ TTBK2 Q6IQ55 1/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 3/20 0.40

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
SCHEMBL539583 0.85 CA1 (0.46) SOS1CA1CA2CA9CA12
SCHEMBL31585831 0.82 CA12 (0.50) CA1CA2CA9CA12CA7
SCHEMBL15326189 0.82 CA12 (0.50) CA1CA2CA9CA12CA7
SCHEMBL1277539 0.81 CA12 (0.44) CA1CA2CA9CA12CA7
SCHEMBL861495 0.81 PTPN2 (0.54) TTBK1TTBK2CA1CA2CA9
SCHEMBL18094310 0.81 TSHR (0.50) CA1CA2CA9CA12CA7
SCHEMBL5223836 0.81 GABRG2 (0.43) SOS1CA1CA2CA9CA12
SCHEMBL12240241 0.79 CA12 (0.43) CA1CA2CA9CA12CA7
SCHEMBL177377 0.79 CA12 (0.67) TTBK1TTBK2CA1CA2CA9
SCHEMBL851742 0.79 KDM4E (0.58) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504651-A Preparation method of 2-bromo-5-morpholinylbenzoic acid methyl ester 阜阳欣奕华制药科技有限公司 2025-02-25 — — CN claimed
EP-4638460-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2025-10-29 — — EP disclosed
US-20250221306-A1 HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2025-07-03 — — US disclosed
CN-119504651-A Preparation method of 2-bromo-5-morpholinylbenzoic acid methyl ester 阜阳欣奕华制药科技有限公司 2025-02-25 — — CN disclosed
CN-119504651-A Preparation method of 2-bromo-5-morpholinylbenzoic acid methyl ester 阜阳欣奕华制药科技有限公司 2025-02-25 — — CN disclosed
US-20240287060-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-08-29 — — US disclosed
CN-115260165-B Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2024-08-06 — — CN disclosed
WO-2024130341-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2024-06-27 — — WO disclosed
WO-2024130341-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2024-06-27 — — WO disclosed
EP-4301752-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF Cambridge Enterprise Limited (GB) 2024-01-10 — — EP disclosed
US-20090209648-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2009-08-20 — — US disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 — — EP disclosed
CN-101479231-A Phenylacetic acid derivatives as COX-2 inhibitors NOVARTIS AG (CH) 2009-07-08 — — CN disclosed
EP-2046723-A2 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS Novartis AG (CH) 2009-04-15 — — EP disclosed
WO-2008002853-A2 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2008-01-03 — — WO disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 — — US disclosed
CN-1729157-A Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors NOVARTIS AG (CH) 2006-02-01 — — CN disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 — — EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 — — US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 — — 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 (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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 SOS1 4635/4885TTBK1 4413/4885TTBK2 3687/4885
US-20240287060-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CSNK1A1, CSNK1D, CSNK2A1 SOS1 3153/4885TTBK1 180/4885TTBK2 137/4885
US-20090209648-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, PTGER2 SOS1 4846/4885TTBK1 3782/4885TTBK2 2755/4885
US-20250221306-A1 HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, CYP1A1, CRY2 SOS1 467/4885TTBK1 1823/4885TTBK2 2962/4885

“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.