SCHEMBL2113104

SCHEMBL2113104

CC(=O)N(Cl)c1cccc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
HSD17B10 Q99714 2/20 0.43
KMO O15229 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
UNG P13051 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MYC P01106 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL31022685 1.00 CA12 (0.46) CA12CA1CA2CA6CA9
SCHEMBL12200278 0.85 CRHBP (0.43) HSD17B10HPGDGAAALDH1A1KDM4E
SCHEMBL9761964 0.84 PARP1 (0.50) HSD17B10POLBMAPTRECQLBLM
SCHEMBL3655893 0.81 CRHBP (0.54) CA12CA1CA2CA6CA9
SCHEMBL27411917 0.81 CA12 (0.52) CA12CA1CA2CA6CA9
SCHEMBL17681587 0.80 CA12 (0.47) CA12CA1CA2CA6CA9
SCHEMBL9229295 0.80 CA12 (0.47) CA12CA1CA2CA6CA9
SCHEMBL9518577 0.79 KMO (0.43) KMOKDM4EMAPTLMNA
SCHEMBL27458679 0.79 CA12 (0.46) CA12CA1CA2CA6CA9
SCHEMBL2724523 0.78 NPSR1 (0.46) CA12CA1CA2CA9CYP2C9

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-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
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-4132803-A TOPICAL APPLICATION TO TRACHEA MEAD JOHNSON & COMPANY (US) 1979-01-02 US disclosed
US-4093739-A Mercaptoacylamidobenzoyl glycine and mucolytic process MEAD JOHNSON & COMPANY (US) 1978-06-06 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 CA12 4114/4885CA1 3941/4885CA2 3893/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 CA12 1523/4885CA1 2498/4885CA2 1578/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 CA12 4114/4885CA1 3941/4885CA2 3893/4885

“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.