SCHEMBL3731040

SCHEMBL3731040

CCCCCCCCCCCC(=O)N(C)c1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
POLB P06746 1/20 0.45
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
LTB4R2 Q9NPC1 3/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
AGTR1 P30556 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX2 P34913 1/20 0.42
PTPN11 Q06124 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL10602287 0.92 SOAT2 (0.51) TSHRPOLBCES1KDM4ERECQL
SCHEMBL3748980 0.89 POLB (0.42) TSHRPOLBCES2CES1KDM4E
SCHEMBL3739641 0.89 POLB (0.42) TSHRPOLBCES2CES1KDM4E
SCHEMBL3735228 0.85 KMT2A (0.49) TSHRPOLBLTB4R2KDM4EKMT2A
SCHEMBL7634722 0.83 TP53 (0.51) TSHRCES2CES1LTB4R2KDM4E
SCHEMBL7626821 0.83 TP53 (0.51) TSHRCES2CES1LTB4R2KDM4E
SCHEMBL7626944 0.83 TP53 (0.51) TSHRCES2CES1LTB4R2KDM4E
SCHEMBL8608422 0.83 SMN1; SMN2 (0.44) TSHRPOLBLTB4R2KDM4EMEN1
Carbamic Acid SCHEMBL27397548 0.81 MEN1 (0.48) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL13041531 0.81 POLB (0.51) TSHRPOLBLTB4R2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 WO disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 US disclosed
US-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 US disclosed
EP-1622890-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2006-02-08 EP disclosed
US-20040235914-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-11-25 US disclosed
WO-2004099175-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2004-11-18 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 (9 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS TSHR 2025/4885POLB 3582/4885CES2 3573/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS TSHR 2025/4885POLB 3582/4885CES2 3573/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 TSHR 803/4885POLB 3696/4885CES2 1404/4885
US-20040235914-A1 Modulation of pathogenicity Q6ZSR9, CCL11, CFH TSHR 185/4885POLB 2177/4885CES2 594/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS TSHR 2025/4885POLB 3582/4885CES2 3573/4885
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA PGLS, TFPI, Q6ZSR9 TSHR 3859/4885POLB 1144/4885CES2 4109/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 TSHR 803/4885POLB 3696/4885CES2 1404/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS TSHR 2025/4885POLB 3582/4885CES2 3573/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 TSHR 803/4885POLB 3696/4885CES2 1404/4885

“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.