Sugi Predict

Sugi Predict / Compounds / SCHEMBL1126261

SCHEMBL1126261

SCHEMBL1126261

CCc1ccc(O)c(I)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.64
▸ ESR1 P03372 2/20 0.45
▸ POLB P06746 2/20 0.44
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ DAO P14920 1/20 0.41
▸ PCNA P12004 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ ESR2 Q92731 1/20 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
SCHEMBL566565 0.83 CNR1 (0.64) TRPA1ESR1CNR1CNR2BACE1
SCHEMBL257086 0.82 TRPA1 (0.64) TRPA1ESR1POLBCNR1CNR2
SCHEMBL17058723 0.81 CA1 (0.61) ESR1POLBHSD17B10KDM4EGAA
SCHEMBL11155646 0.79 NPC1 (0.55) ESR1CNR1CNR2HSD17B10KDM4E
SCHEMBL7942390 0.79 KDM4E (0.41) TRPA1POLBBACE1HSD17B10KDM4E
SCHEMBL3212503 0.78 CA1 (0.52) TRPA1ESR1POLBHSD17B10KDM4E
SCHEMBL10274472 0.78 TRPA1 (0.46) TRPA1ALDH1A1MAPTCYP1A2CYP2A6
SCHEMBL29661799 0.78 TRPA1 (0.46) TRPA1ALDH1A1MAPTCYP1A2CYP2A6
SCHEMBL56556 0.78 TRPA1 (1.00) TRPA1ESR1POLBCNR1BACE1
SCHEMBL30290839 0.78 TRPA1 (1.00) TRPA1ESR1POLBCNR1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020240181-A1 DETECTION OF BIOMARKERS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-12-03 — — WO claimed
CN-102174074-A Inhibitors of cancer cell, T cell and keratinocyte proliferation 4SC AG 2011-09-07 — — CN claimed
US-20250122182-A1 MYST Inhibitors Isosterix, Inc. 2025-04-17 — — US disclosed
WO-2025036382-A1 SULFONAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海复宏汉霖生物医药有限公司 2025-02-20 — — WO disclosed
WO-2024016071-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-01-25 — — WO disclosed
WO-2023229346-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME 주식회사 체크메이트테라퓨틱스 2023-11-30 — — WO disclosed
US-20230122957-A1 PSMA LIGANDS FOR IMAGING AND ENDORADIOTHERAPY Technische Universität München (DE) 2023-04-20 — — US disclosed
WO-2022126275-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-06-23 — — WO disclosed
EP-4008359-A1 PSMA LIGANDS FOR IMAGING AND ENDORADIOTHERAPY Technische Universität München (DE) 2022-06-08 — — EP disclosed
EP-3723815-B1 PSMA LIGANDS FOR IMAGING AND ENDORADIOTHERAPY UNIV MUENCHEN TECH (DE) 2022-04-20 — — EP disclosed
US-20210338851-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2021-11-04 — — US disclosed
WO-2007017284-A2 INHIBITORS OF CANCER CELL, T-CELL AND KERATINOCYTE PROLIFERATION 4SC AG (DE) 2007-02-15 — — WO disclosed
EP-1752467-A1 Inhibitors of cancer cell, t-cell and keratinocyte proliferation 4SC AG (DE) 2007-02-14 — — EP disclosed
US-6953788-B1 3-mercaptoacetylamino-1,5-substituted-2-oxo-azepan derivatives useful as inhibitors of matrix metalloproteinase AVENTIS PHARMACEUTICALS INC. (US) 2005-10-11 — — US disclosed
US-6953788-B1 3-mercaptoacetylamino-1,5-substituted-2-oxo-azepan derivatives useful as inhibitors of matrix metalloproteinase AVENTIS PHARMACEUTICALS INC. (US) 2005-10-11 — — US disclosed
WO-2005042530-A1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2005-05-12 — — WO disclosed
US-20040049072-A1 RXR modulators with improved pharmacologic profile LIGAND PHARMACEUTICALS INC 2004-03-11 — — US disclosed
US-6593493-B1 2-(Carboxy(unsaturated)alkyl)-1-(haloalkoxy)benzene derivatives; retinoid X receptors; cardiovascular, skin, eating and vision disorders; anticarcinogenic agents; non-insulin-dependent diabetes LIGAND PHARMACEUTICALS, INC. 2003-07-15 — — US disclosed
EP-1216221-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-26 — — EP disclosed
WO-2001019770-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-22 — — 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-20210338851-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN FOLH1, KLK3, PSMA3 TRPA1 747/4885ESR1 29/4885POLB 757/4885
US-20230122957-A1 PSMA LIGANDS FOR IMAGING AND ENDORADIOTHERAPY KLK3, FOLH1, EEA1 TRPA1 4486/4885ESR1 12/4885POLB 3761/4885
US-20250122182-A1 MYST Inhibitors MNAT1, SUGT1, ACAT2 TRPA1 4819/4885ESR1 3365/4885POLB 1364/4885
US-20040049072-A1 RXR modulators with improved pharmacologic profile RXRB, RXRG, RXRA TRPA1 2901/4885ESR1 440/4885POLB 4092/4885

“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.