SCHEMBL1126255

SCHEMBL1126255

CCc1cc(I)c(O)c(I)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.52
ESR1 P03372 2/20 0.42
TRPA1 O75762 1/20 0.42
ALB P02768 1/20 0.42
HSPA5 P11021 1/20 0.42
THRB P10828 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
THRA P10827 1/20 0.40
RXRA P19793 1/20 0.40
PPARG P37231 1/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
SIRT5 Q9NXA8 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
PTGS2 P35354 2/20 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
SCHEMBL13474000 0.91 PTGS1 (0.44) TTRESR1TRPA1ALBHSPA5
SCHEMBL6833615 0.83 HSPA5 (0.62) HSPA5MEN1LMNAKMT2AHTT
SCHEMBL23921372 0.82 TRPV1 (0.39) TTRESR1THRBITGB3ITGAV
SCHEMBL5884087 0.82 ERN1 (0.58) TTRESR1THRBITGB3ITGAV
SCHEMBL14264005 0.82 THRB (0.66) TTRTHRBITGB3ITGAVTHRA
SCHEMBL13019661 0.80 PTGS2 (0.37) TRPA1HSPA5RXRAPTGS2TBXA2R
SCHEMBL12514479 0.79 TTR (0.48) TTRESR1ALBTHRBITGB3
Hydrochloric Acid SCHEMBL11251767 0.79 HSPA5 (0.38) TTRESR1HSPA5THRBITGB3
SCHEMBL18888072 0.79 CHEK1 (0.56) TTRESR1TRPA1ALBHSPA5
SCHEMBL13819754 0.78 PTGS2 (0.36) TRPA1PTGS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400229-B1 18/19F-LABELLED COMPOUNDS WHICH TARGET THE PROSTATE SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-03-06 EP disclosed
US-20230296982-A1 POLYMER, COMPOSITION, METHOD FOR PRODUCING POLYMER, COMPOSITION, COMPOSITION FOR FILM FORMATION, RESIST COMPOSITION, RADIATION-SENSITIVE COMPOSITION, COMPOSITION FOR UNDERLAYER FILM FORMATION FOR LITHOGRAPHY, RESIST PATTERN FORMATION METHOD, METHOD FOR PRODUCING UNDERLAYER FILM FOR LITHOGRAPHY, CIRCUIT PATTERN FORMATION METHOD, AND COMPOSITION FOR OPTICAL MEMBER FORMATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-21 US disclosed
US-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-04-13 US disclosed
US-9731016-B2 Tyrosine-based lipids for delivery of therapeutics MARINA BIOTECH, INC. (US) 2017-08-15 US disclosed
WO-2017117687-A1 18/19F-LABELLED COMPOUNDS WHICH TARGET THE PROSTATE SPECIFIC MEMBRANE ANTIGEN BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-07-13 WO disclosed
US-20160206739-A1 TYROSINE-BASED LIPIDS FOR DELIVERY OF THERAPEUTICS MARINA BIOTECH INC (US) 2016-07-21 US disclosed
US-9339461-B2 Arginine-based lipids for delivery of therapeutics MARINA BIOTECH, INC. (US) 2016-05-17 US disclosed
US-20150209283-A1 PROCESSES AND COMPOSITIONS FOR LIPOSOMAL AND EFFICIENT DELIVERY OF GENE SILENCING THERAPEUTICS MARINA BIOTECH INC (US) 2015-07-30 US disclosed
US-20150202175-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation FARBER MICHAEL (US) 2015-07-23 US disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-7345081-B2 Azabicyclo-octane inhibitors of IAP GENENTECH, INC. (US) 2008-03-18 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
WO-2007017284-A2 INHIBITORS OF CANCER CELL, T-CELL AND KERATINOCYTE PROLIFERATION 4SC AG (DE) 2007-02-15 WO disclosed
US-20070037753-A1 Inhibitors of cancer cell, T-cell and keratinocyte proliferation 4SC AG (DE) 2007-02-15 US disclosed
EP-1752467-A1 Inhibitors of cancer cell, t-cell and keratinocyte proliferation 4SC AG (DE) 2007-02-14 EP disclosed
WO-2005042530-A1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2005-05-12 WO disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US 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 (7 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-20150202175-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation NOS1, NOS2, NOS3 TTR 379/4885ESR1 1505/4885TRPA1 1577/4885
US-20070037753-A1 Inhibitors of cancer cell, T-cell and keratinocyte proliferation H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EGFR, MKI67 TTR 3073/4885ESR1 2843/4885TRPA1 797/4885
US-20160206739-A1 TYROSINE-BASED LIPIDS FOR DELIVERY OF THERAPEUTICS ABL1, LCK, ERBB2 TTR 372/4885ESR1 2952/4885TRPA1 4657/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A TTR 4018/4885ESR1 2423/4885TRPA1 322/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 TTR 3278/4885ESR1 2208/4885TRPA1 4514/4885
US-20150209283-A1 PROCESSES AND COMPOSITIONS FOR LIPOSOMAL AND EFFICIENT DELIVERY OF GENE SILENCING THERAPEUTICS SLC27A2, LYPLA2, SLC27A1 TTR 2996/4885ESR1 3767/4885TRPA1 1844/4885
US-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN FOLH1, KLK3, PSMA3 TTR 3766/4885ESR1 29/4885TRPA1 747/4885

“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.