SCHEMBL2215801

SCHEMBL2215801

O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 10/20 0.70
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
NLRP3 Q96P20 1/20 0.66
APEX1 P27695 1/20 0.63
LCK P06239 1/20 0.60
MAP3K5 Q99683 2/20 0.59
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL29665058 1.00 CFTR (0.70) CFTRMEN1KMT2ANLRP3APEX1
SCHEMBL2215803 1.00 CFTR (0.70) CFTRMEN1KMT2ANLRP3APEX1
SCHEMBL5119828 1.00 CFTR (0.70) CFTRMEN1KMT2ANLRP3APEX1
SCHEMBL7202246 0.90 CFTR (0.64) CFTRMEN1KMT2ANLRP3APEX1
SCHEMBL6789054 0.90 CFTR (0.64) CFTRMEN1KMT2ANLRP3APEX1
SCHEMBL3892654 0.89 APEX1 (0.71) MEN1KMT2AAPEX1LCKMAP3K5
SCHEMBL3892650 0.89 APEX1 (0.71) MEN1KMT2AAPEX1LCKMAP3K5
SCHEMBL3896597 0.89 LCK (0.68) CFTRMEN1KMT2AAPEX1LCK
SCHEMBL29554158 0.89 LCK (0.68) CFTRMEN1KMT2AAPEX1LCK
SCHEMBL3896603 0.89 LCK (0.68) CFTRMEN1KMT2AAPEX1LCK

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178142-A1 PHARMACEUTICAL COMPOSITION FOR THERAPEUTIC OR PROPHYLACTIC TREATMENT OF BACTERIAL INFECTIONS AND ASSOCIATED DISEASES NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2011-07-21 US claimed
WO-2010044103-A1 PHARMACEUTICAL COMPOSITION FOR THERAPEUTIC OR PROPHYLACTIC TREATMENT OF BACTERIAL INFECTIONS AND ASSOCIATED DISEASES NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2010-04-22 WO claimed
EP-2539305-B1 CHRYSOPHAENTIN ANTIMICROBIAL COMPOUNDS THAT INHIBIT FTSZ PROTEIN US HEALTH (US) 2017-02-15 EP disclosed
US-9169182-B2 Chrysophaentin analogs that inhibit FtsZ protein THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-27 US disclosed
EP-2678297-A2 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2014-01-01 EP disclosed
US-20130331460-A1 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-12-12 US disclosed
US-8399689-B2 Chrysophaentin antimicrobial compounds that inhibit FtsZ protein THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-03-19 US disclosed
EP-2539305-A2 CHRYSOPHAENTIN ANTIMICROBIAL COMPOUNDS THAT INHIBIT FTSZ PROTEIN The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2013-01-02 EP disclosed
US-20120316227-A1 CHRYSOPHAENTIN ANTIMICROBIAL COMPOUNDS THAT INHIBIT FTSZ PROTEIN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-12-13 US disclosed
WO-2012116254-A2 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-08-30 WO disclosed
WO-2011106630-A2 CHRYSOPHAENTIN ANTIMICROBIAL COMPOUNDS THAT INHIBIT FTSZ PROTEIN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-09-01 WO disclosed
US-20110178142-A1 PHARMACEUTICAL COMPOSITION FOR THERAPEUTIC OR PROPHYLACTIC TREATMENT OF BACTERIAL INFECTIONS AND ASSOCIATED DISEASES NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2011-07-21 US disclosed
US-20110178142-A1 PHARMACEUTICAL COMPOSITION FOR THERAPEUTIC OR PROPHYLACTIC TREATMENT OF BACTERIAL INFECTIONS AND ASSOCIATED DISEASES NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2011-07-21 US disclosed
US-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 US disclosed
US-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 US disclosed
WO-2010044103-A1 PHARMACEUTICAL COMPOSITION FOR THERAPEUTIC OR PROPHYLACTIC TREATMENT OF BACTERIAL INFECTIONS AND ASSOCIATED DISEASES NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2010-04-22 WO disclosed
WO-2010044103-A1 PHARMACEUTICAL COMPOSITION FOR THERAPEUTIC OR PROPHYLACTIC TREATMENT OF BACTERIAL INFECTIONS AND ASSOCIATED DISEASES NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2010-04-22 WO disclosed
US-20080051445-A1 2-Thioxothiazolidin-4-one compounds and compositions as antimicrobial and antimalarial agents targeting enoyl-ACP reductase of type II fatty acid synthesis pathway and other cell growth pathways NATIONAL INSTITUTE OF IMMUNOLOGY. 2008-02-28 US disclosed
EP-1834642-A2 2-thioxothiazolidin-4-one compounds and compositions as antimicrobial and antimalarial agents targeting enoyl-ACP reductase of type II fatty acid synthesis pathway and other cell growth pathways National Institute of Immunology (IN) 2007-09-19 EP 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-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates TTR, TPR, POT1 CFTR 4494/4885MEN1 3323/4885KMT2A 4011/4885
US-20120316227-A1 CHRYSOPHAENTIN ANTIMICROBIAL COMPOUNDS THAT INHIBIT FTSZ PROTEIN CEP170, CDC42, CIAPIN1 CFTR 1800/4885MEN1 3242/4885KMT2A 3500/4885
US-20080051445-A1 2-Thioxothiazolidin-4-one compounds and compositions as antimicrobial and antimalarial agents targeting enoyl-ACP reductase of type II fatty acid synthesis pathway and other cell growth pathways FASN, FADS2, TECR CFTR 4038/4885MEN1 4839/4885KMT2A 2463/4885
US-20130331460-A1 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN CDC42, CEP170, FNTA CFTR 1789/4885MEN1 2585/4885KMT2A 2219/4885

“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.