SCHEMBL2113590

SCHEMBL2113590

N#Cc1cc(I)c(OCC(=O)O)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.46
TTR P02766 1/20 0.46
ALB P02768 1/20 0.46
HPGD P15428 1/20 0.44
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
CD69 Q07108 3/20 0.39
FFAR1 O14842 1/20 0.38
ELANE P08246 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL31616127 0.85 TTR (0.48) PTGDR2TTRALBHPGDTHRA
SCHEMBL14040248 0.80 THRA (0.46) THRATHRBALOX15KMT2ACD69
SCHEMBL5533531 0.79 HPGD (0.48) PTGDR2TTRALBHPGDTHRA
SCHEMBL10495696 0.79 HPGD (0.42) PTGDR2HPGDTHRATHRBALOX15
SCHEMBL22359890 0.77 THRA (0.50) PTGDR2HPGDTHRATHRBKMT2A
SCHEMBL31453936 0.77 ALOX15 (0.53) PTGDR2HPGDALOX15KMT2AFFAR1
SCHEMBL6724871 0.77 THRA (0.57) THRATHRBALOX15KMT2ACD69
SCHEMBL6720881 0.75 THRB (0.49) TTRTHRATHRBALOX15KMT2A
SCHEMBL5276461 0.72 TSHR (0.49) PTGDR2THRATHRBCD69ELANE
SCHEMBL8413020 0.71 KMT2A (0.42) HPGDTHRATHRBALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP disclosed
EP-3207929-B1 COLCHICINE DERIVATIVES FOR THE TREATMENT OF CANCER CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-05-26 EP disclosed
EP-3207929-A2 COLCHICINE DERIVATIVES California Pacific Medical Center (US) 2017-08-23 EP disclosed
EP-1617843-B1 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2016-12-21 EP disclosed
EP-1643987-B1 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2016-11-30 EP disclosed
US-8158809-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2012-04-17 US disclosed
EP-2388003-A2 Colchicine derivatives California Pacific Medical Center (US) 2011-11-23 EP disclosed
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US disclosed
US-7605262-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2009-10-20 US disclosed
EP-1643987-A4 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2008-07-09 EP disclosed
WO-2005007076-A2 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2005-01-27 WO disclosed
US-20050004169-A1 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2005-01-06 US disclosed
CN-1553802-A Camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-12-08 CN disclosed
US-6825236-B2 ACTIVE AGAINST TUMORS IN MICE AND ARE GENERALLY WELL TOLERATED CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 US disclosed
US-20040204370-A1 COLCHICINE DERIVATIVES SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-10-14 US disclosed
US-20040034050-A1 Homo-camptothecin derivatives CATHOLIC HEALTHCARE WEST, DOING BUSINESS AS ST. MARY'S MEDICAL CENTER OF SAN FRANCISCO 2004-02-19 US disclosed
WO-2003101406-A1 HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO disclosed
EP-1353673-A1 CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2003-10-22 EP disclosed
WO-2002056885-A1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-07-25 WO disclosed
US-6350756-B1 USEFUL FOR TREATING CANCER; (20S) ESTERS WITH AN OXYALKANOIC ACID; CALIFORNIA PACIFIC MEDICAL CENTER 2002-02-26 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 (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-20050004169-A1 Podophyllotoxin derivatives APEH, DAGLA, DPY30 PTGDR2 1000/4885TTR 2527/4885ALB 3983/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 PTGDR2 4832/4885TTR 2966/4885ALB 2458/4885
US-20040034050-A1 Homo-camptothecin derivatives CYP8B1, HCAR3, MTHFD2 PTGDR2 630/4885TTR 2593/4885ALB 4573/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 PTGDR2 1000/4885TTR 2527/4885ALB 3983/4885

“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.