SCHEMBL2347427

SCHEMBL2347427

CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(OC(F)(F)F)ccc2Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
CYP1A2 P05177 1/20 0.61
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KCNH2 Q12809 1/20 0.57
TRPV1 Q8NER1 2/20 0.54
EPHX1 P07099 1/20 0.50
NPC1 O15118 4/20 0.48
NR1H4 Q96RI1 2/20 0.48
EPHX2 P34913 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 6/20 0.45
GLA P06280 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL15149603 0.87 TRPV1 (0.54) ALDH1A1CYP1A2MEN1KMT2AKCNH2
SCHEMBL2349534 0.85 ALDH1A1 (0.82) ALDH1A1CYP1A2MEN1KMT2AKCNH2
SCHEMBL17424339 0.85 ALDH1A1 (0.70) ALDH1A1CYP1A2MEN1KMT2AKCNH2
SCHEMBL2347366 0.83 EPHX1 (0.72) ALDH1A1CYP1A2MEN1KMT2AKCNH2
SCHEMBL2342014 0.82 ALDH1A1 (0.72) ALDH1A1CYP1A2MEN1KMT2AKCNH2
SCHEMBL29661130 0.78 NPC1 (0.74) ALDH1A1CYP1A2MEN1KMT2AKCNH2
SCHEMBL2343610 0.78 NPC1 (0.74) ALDH1A1CYP1A2MEN1KMT2AKCNH2
SCHEMBL2347474 0.75 EPHX2 (0.56) ALDH1A1CYP1A2MEN1KMT2AKCNH2
Hydrochloric Acid SCHEMBL2341599 0.74 EPHX2 (0.55) ALDH1A1CYP1A2MEN1KMT2AKCNH2
SCHEMBL14095973 0.73 SIRT1 (0.59) ALDH1A1NPC1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968571-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2018-05-15 US claimed
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2017-05-11 US claimed
US-20130195796-A1 Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens SIGA TECHNOLOGIES INC. (US) 2013-08-01 US claimed
EP-2536286-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS Siga Technologies, Inc. (US) 2012-12-26 EP claimed
WO-2011103375-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2011-08-25 WO claimed
US-9968571-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2018-05-15 US disclosed
US-9968571-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2018-05-15 US disclosed
US-9968571-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2018-05-15 US disclosed
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2017-05-11 US disclosed
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2017-05-11 US disclosed
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2017-05-11 US disclosed
US-9566254-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC. (US) 2017-02-14 US disclosed
US-9233087-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC (US) 2016-01-12 US disclosed
US-9233087-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC (US) 2016-01-12 US disclosed
US-9233087-B2 Inhibitors and methods of inhibiting bacterial and viral pathogens SIGA TECHNOLOGIES, INC (US) 2016-01-12 US disclosed
EP-2865668-A2 Inhibitors and methods of inhibiting bacterial and viral pathogens Siga Technologies, Inc. (US) 2015-04-29 EP disclosed
EP-2865668-A2 Inhibitors and methods of inhibiting bacterial and viral pathogens Siga Technologies, Inc. (US) 2015-04-29 EP disclosed
US-20130195796-A1 Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens SIGA TECHNOLOGIES INC. (US) 2013-08-01 US disclosed
EP-2536286-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS Siga Technologies, Inc. (US) 2012-12-26 EP disclosed
WO-2011103375-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2011-08-25 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 (2 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-20130195796-A1 Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens TST, TPMT, EIF2AK2 ALDH1A1 3069/4885CYP1A2 4529/4885MEN1 4128/4885
US-20170128393-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS TST, TPMT, EIF2AK2 ALDH1A1 3069/4885CYP1A2 4529/4885MEN1 4128/4885

“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.