SCHEMBL2535653

SCHEMBL2535653

CC(C)(C)OC(=O)NCCCO/N=C(\C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
SUCNR1 Q9BXA5 4/20 0.37
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
ACKR3 P25106 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
CYP3A4 P08684 1/20 0.36
IDO1 P14902 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
BRD4 O60885 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL9526858 0.97 HDAC3 (0.38) MAPTLMNAGAASUCNR1HDAC3
SCHEMBL2541499 0.97 HDAC3 (0.38) MAPTLMNAGAASUCNR1HDAC3
SCHEMBL10551133 0.95 MAPT (0.39) MAPTLMNAGAASUCNR1ACKR3
SCHEMBL10551124 0.95 MAPT (0.39) MAPTLMNAGAASUCNR1ACKR3
SCHEMBL9526816 0.88 KMT2A (0.44) MAPTLMNAGAASUCNR1HDAC3
SCHEMBL9526809 0.88 KMT2A (0.44) MAPTLMNAGAASUCNR1HDAC3
SCHEMBL9142511 0.88 IDO1 (0.38) MAPTLMNAGAAACKR3SIGMAR1
Methane SCHEMBL9366272 0.85 MAPT (0.42) MAPTLMNAGAA
SCHEMBL10542795 0.85 MAPT (0.43) MAPTLMNAGAACA12CA1
SCHEMBL10542790 0.85 MAPT (0.43) MAPTLMNAGAACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557978-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2013-10-15 US disclosed
US-20120214967-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE, INC. (US) 2012-08-23 US disclosed
EP-1507796-B1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE INC (US) 2012-05-02 EP disclosed
US-8084417-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2011-12-27 US disclosed
US-8044195-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2011-10-25 US disclosed
US-20100197569-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-7728127-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2010-06-01 US disclosed
US-7713931-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2010-05-11 US disclosed
US-7655621-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2010-02-02 US disclosed
US-7649080-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2010-01-19 US disclosed
US-6974797-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2005-12-13 US disclosed
US-20050239691-A1 Cross-linked glycopeptide - cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2005-10-27 US disclosed
US-20050209132-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2005-09-22 US disclosed
US-6878686-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2005-04-12 US disclosed
EP-1507796-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS Theravance, Inc. (US) 2005-02-23 EP disclosed
EP-1434779-A2 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS Theravance, Inc. (US) 2004-07-07 EP disclosed
US-20040033939-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2004-02-19 US disclosed
WO-2003099858-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE, INC. (US) 2003-12-04 WO disclosed
US-20030130173-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2003-07-10 US disclosed
WO-2003031449-A2 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE, INC. (US) 2003-04-17 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 (6 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-20040033939-A1 Cross-linked glycopeptide-cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 MAPT 4537/4885LMNA 3192/4885GAA 654/4885
US-20030130173-A1 Cross-linked glycopeptide-cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 MAPT 4537/4885LMNA 3192/4885GAA 654/4885
US-20120214967-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS CSGALNACT1, GYPA, ST3GAL3 MAPT 4537/4885LMNA 3192/4885GAA 654/4885
US-20100197569-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS CSGALNACT1, GYPA, ST3GAL3 MAPT 4487/4885LMNA 3243/4885GAA 670/4885
US-20050239691-A1 Cross-linked glycopeptide - cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 MAPT 4537/4885LMNA 3192/4885GAA 654/4885
US-20050209132-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS CSGALNACT1, GYPA, ST3GAL3 MAPT 4537/4885LMNA 3192/4885GAA 654/4885

“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.