SCHEMBL2113108

SCHEMBL2113108

CC(=O)Nc1c(Cl)cccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.53
MEN1 O00255 2/20 0.47
TTR P02766 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
PTGS2 P35354 2/20 0.47
AKR1C3 P42330 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.47
HPGD P15428 2/20 0.47
CYP2C19 P33261 2/20 0.47
USP2 O75604 1/20 0.47
MT-CO2 P00403 1/20 0.47
LMNA P02545 1/20 0.47
PLA2G1B P04054 1/20 0.47
PGR P06401 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
AR P10275 1/20 0.47

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
SCHEMBL5900930 0.92 SMO (0.54) ALDH1A1TSHRMEN1TTRADORA3
SCHEMBL7828458 0.87 HSD17B10 (0.50) ALDH1A1MEN1KMT2ACYP1A2HPGD
SCHEMBL1272335 0.85 PDK1 (0.53) ALDH1A1MEN1KMT2ACYP1A2LMNA
SCHEMBL7308406 0.83 TSHR (0.59) ALDH1A1TSHRMEN1TTRADORA3
SCHEMBL8118111 0.83 NR4A2 (0.48) ALDH1A1TSHRMEN1PTGS2KMT2A
Hydrochloric Acid SCHEMBL5297660 0.83 PDK1 (0.51) ALDH1A1MEN1KMT2ACYP1A2LMNA
SCHEMBL5176800 0.81 TSHR (0.49) ALDH1A1TSHRMEN1TTRADORA3
SCHEMBL10496983 0.80 POLB (0.40) ALDH1A1KMT2ACYP1A2HPGDCYP2C19
SCHEMBL25258585 0.80 PTPN11 (0.55) ALDH1A1CYP1A2HPGDCYP2C19LMNA
SCHEMBL950942 0.80 POLB (0.62) ALDH1A1MEN1PTGS2AKR1C3KMT2A

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 22 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
CN-102643241-A Compounds and compositions and methods of use ARDEA BIOSCIENCES INC 2012-08-22 CN 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
US-7342114-B2 Podophyllotoxin derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2008-03-11 US disclosed
EP-1643987-A2 PODOPHYLLOTOXIN DERIVATIVES California Pacific Medical Center (US) 2006-04-12 EP disclosed
EP-1617843-A2 COLCHICINE DERIVATIVES California Pacific Medical Center (US) 2006-01-25 EP disclosed
WO-2005014536-A2 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2005-02-17 WO 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
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-6576614-B1 Administering methyl ketones or closed hemiketal derivatives of aspartic acid VERTEX PHARMACEUTICALS INCORPORATED 2003-06-10 US disclosed
US-4307113-A TREATMENT OF DIABETES SANDOZ, INC. (US) 1981-12-22 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 (3 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 ALDH1A1 285/4885TSHR 3451/4885MEN1 4599/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 ALDH1A1 2730/4885TSHR 3779/4885MEN1 1453/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 ALDH1A1 285/4885TSHR 3451/4885MEN1 4599/4885

“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.