SCHEMBL3895050

SCHEMBL3895050

CC(C)(C)OC(=O)Nc1ccc(I)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.59
▸ PTPN2 P17706 1/20 0.59
▸ PTPN1 P18031 1/20 0.59
▸ PTPRA P18433 1/20 0.59
▸ PTPRB P23467 1/20 0.59
▸ PTPRE P23469 1/20 0.59
▸ PTPN6 P29350 1/20 0.59
▸ CA12 O43570 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GFER P55789 1/20 0.43
▸ SERPINE1 P05121 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ IDO1 P14902 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL30517876 1.00 PTPRC (0.59) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL8243668 0.88 RXFP1 (0.45) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL7846188 0.86 PTPN1 (0.64) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1767849 0.85 KMT2A (0.52) CA12CA7MEN1KMT2AGFER
SCHEMBL27852761 0.85 MEN1 (0.56) CA12CA7MEN1KMT2AGFER
SCHEMBL31619048 0.85 KMT2A (0.52) CA12CA7MEN1KMT2AGFER
SCHEMBL3887267 0.84 PTPRC (0.66) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL18522602 0.84 HPGD (0.46) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL29259910 0.82 KDM4E (0.63) CA12CA7MEN1KMT2ASERPINE1
SCHEMBL30517815 0.82 POLB (0.53) MEN1KMT2AKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673442-A1 PHOTOSWITCHABLE COMPOUNDS AND AFFINITY LIGANDS, AND THEIR USE FOR THE OPTICAL CONTROL OF AFFINITY MATRICES AFC Innovations GmbH (DE) 2026-01-07 — — EP disclosed
US-20250134907-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-05-01 — — US disclosed
WO-2024180254-A1 PHOTOSWITCHABLE COMPOUNDS AND AFFINITY LIGANDS, AND THEIR USE FOR THE OPTICAL CONTROL OF AFFINITY MATRICES AFC INNOVATIONS GMBH (DE) 2024-09-06 — — WO disclosed
CN-116693515-A GST protein inhibitor, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-09-05 — — CN disclosed
WO-2023154197-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 — — WO disclosed
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF HEPANOVA, INC. 2021-11-04 — — US disclosed
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof HEPANOVA, INC. (US) 2021-05-11 — — US disclosed
US-7572813-B2 Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 — — US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 — — US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 — — US disclosed
EP-1945616-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2008-07-23 — — EP disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 — — WO disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 — — WO disclosed
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT 2006-06-22 — — US disclosed
US-7045521-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-16 — — US disclosed
US-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT (US) 2004-06-10 — — US disclosed
US-6706712-B2 RHEUMATIC DISEASES, MULTIPLE SCLEROSIS, ASTHMA, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 — — US disclosed
EP-1343751-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 — — EP disclosed
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 — — US disclosed
WO-2002060859-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 — — 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 (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-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) PDE4A, PDE4B, PDE3B PTPRC 3729/4885PTPN2 3101/4885PTPN1 3108/4885
US-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 PTPRC 2102/4885PTPN2 3285/4885PTPN1 2285/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 PTPRC 2102/4885PTPN2 3285/4885PTPN1 2285/4885
US-20250134907-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF RXFP3, RXFP4, RXFP2 PTPRC 4244/4885PTPN2 3151/4885PTPN1 3956/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 PTPRC 1733/4885PTPN2 3066/4885PTPN1 2278/4885
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof AADAC, GOT2, ABAT PTPRC 4394/4885PTPN2 3611/4885PTPN1 3971/4885
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF AADAC, GOT2, ABAT PTPRC 4394/4885PTPN2 3611/4885PTPN1 3971/4885

“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.

Send feedback