SCHEMBL587029

SCHEMBL587029

C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HEXD Q8WVB3 1/20 1.00
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.64
HTT P42858 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
KDM4E B2RXH2 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 4/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL587030 1.00 HEXD (1.00) HEXDALDH1A1LMNAHTTL3MBTL1
SCHEMBL2682089 1.00 HEXD (1.00) HEXDALDH1A1LMNAHTTL3MBTL1
SCHEMBL14643619 0.92 HEXD (0.85) HEXDALDH1A1LMNAHTTL3MBTL1
SCHEMBL586692 0.91 HEXD (0.83) HEXDALDH1A1LMNAHTTL3MBTL1
SCHEMBL14644817 0.90 HEXD (0.81) HEXDALDH1A1LMNAHTTL3MBTL1
SCHEMBL14644495 0.90 HEXD (0.81) HEXDALDH1A1LMNAHTTL3MBTL1
SCHEMBL14643410 0.90 HEXD (0.81) HEXDALDH1A1LMNAHTTL3MBTL1
SCHEMBL587230 0.88 HEXD (0.79) HEXDALDH1A1LMNAHTTL3MBTL1
SCHEMBL14643409 0.88 HEXD (0.78) HEXDALDH1A1LMNAHTTL3MBTL1
SCHEMBL14643408 0.86 HEXD (0.75) HEXDALDH1A1LMNAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731608-B1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX INC (US) 2018-03-14 EP disclosed
US-9340551-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2016-05-17 US disclosed
US-9340551-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2016-05-17 US disclosed
US-8906945-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2014-12-09 US disclosed
US-8906945-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2014-12-09 US disclosed
US-8906945-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2014-12-09 US disclosed
US-20140219995-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2014-08-07 US disclosed
US-20140219995-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2014-08-07 US disclosed
US-20140142134-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2014-05-22 US disclosed
US-20140142134-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2014-05-22 US disclosed
WO-2013010089-A2 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2013-01-17 WO disclosed
WO-2013010082-A2 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2013-01-17 WO disclosed
US-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-10 US disclosed
US-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-10 US disclosed
US-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-10 US disclosed
EP-2416661-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM Microbiotix, Inc. (US) 2012-02-15 EP disclosed
WO-2010118046-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2010-10-14 WO disclosed
WO-2010118046-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2010-10-14 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 (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-20140142134-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM TNPO3, TFPI, CLPP HEXD 642/4885ALDH1A1 4855/4885LMNA 3162/4885
US-20120114633-A1 Inhibitors Of Bacterial Type III Secretion System CLPP, TFPI, SI HEXD 838/4885ALDH1A1 4734/4885LMNA 4556/4885
US-20140219995-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM CLPP, TFPI, SI HEXD 838/4885ALDH1A1 4734/4885LMNA 4556/4885

“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.