SCHEMBL130575

SCHEMBL130575

COC(=O)c1cc(I)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ABL1 P00519 1/20 0.42
SOS1 Q07889 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
MAP2K2 P36507 2/20 0.41
MAP2K1 Q02750 2/20 0.41
CFTR P13569 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL30778915 0.85 MAP2K1 (0.47) ALDH1A1HPGDHSD17B10ABL1SOS1
SCHEMBL5734786 0.85 MAP2K1 (0.47) ALDH1A1HPGDHSD17B10ABL1SOS1
SCHEMBL31585831 0.82 CA12 (0.50) PTPN1ALDH1A1TSHRHPGDHSD17B10
SCHEMBL15326189 0.82 CA12 (0.50) PTPN1ALDH1A1TSHRHPGDHSD17B10
SCHEMBL112046 0.81 CES2 (0.61) ALDH1A1TSHRHPGDHSD17B10ABL1
SCHEMBL1277539 0.81 CA12 (0.44) PTPN1ALDH1A1TSHRHPGDHSD17B10
SCHEMBL4150684 0.81 MAP2K2 (0.52) ALDH1A1TSHRHPGDHSD17B10L3MBTL1
SCHEMBL1462096 0.79 ABL1 (0.61) ALDH1A1TSHRHPGDHSD17B10ABL1
SCHEMBL2060214 0.79 CYP46A1 (0.53) ALDH1A1TSHRHPGDHSD17B10ABL1
SCHEMBL12240241 0.79 CA12 (0.43) PTPN1ALDH1A1TSHRHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025026218-A1 ARYLAMINE COMPOUND HAVING PROTEIN DEGRADATION EFFECT 杭州中美华东制药有限公司 2025-02-06 WO disclosed
CN-119060053-A Nuclear receptor binding SET structural domain protein 2/3 inhibitor, and pharmaceutical composition and application thereof 深圳众格生物科技有限公司 2024-12-03 CN disclosed
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-08-08 US disclosed
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 US disclosed
WO-2024034123-A1 PHARMACEUTICAL COMPOSITION CONTAINING HETEROCYCLIC COMPOUND アステラス製薬株式会社 2024-02-15 WO disclosed
WO-2024034657-A1 PHARMACEUTICAL COMPOSITION COMPRISING HETEROCYCLIC COMPOUND アステラス製薬株式会社 2024-02-15 WO disclosed
WO-2024034591-A1 HETEROCYCLIC COMPOUND FOR INHIBITING AND/OR INDUCING DEGRADATION OF KRAS PROTEIN アステラス製薬株式会社 2024-02-15 WO disclosed
WO-2024019103-A1 HETEROCYCLIC COMPOUND THAT ACTS ON G12D MUTANT KRAS PROTEIN アステラス製薬株式会社 2024-01-25 WO disclosed
WO-2023171781-A1 HETEROCYCLIC COMPOUND FOR INDUCING DEGRADATION OF G12D MUTANT KRAS PROTEIN アステラス製薬株式会社 2023-09-14 WO disclosed
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 CN disclosed
US-20060167065-A1 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US disclosed
CN-1802187-A Benzoxazinyl-amido cyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO INC (US) 2006-07-12 CN disclosed
US-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
EP-1615699-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
EP-1542667-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-06-22 EP disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2004092124-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
WO-2004009558-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS, THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASES CAUSED BY SUCH MUTATIONS PTC THERAPEUTICS, INC. (US) 2004-01-29 WO disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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-20060167065-A1 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease UPF1, VHL, URB2 PTPN1 4123/4885ALDH1A1 1816/4885TSHR 3379/4885
US-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 PTPN1 1207/4885ALDH1A1 2799/4885TSHR 501/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 PTPN1 1301/4885ALDH1A1 1135/4885TSHR 545/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 PTPN1 1614/4885ALDH1A1 840/4885TSHR 478/4885

“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.