Sugi Predict

Sugi Predict / Compounds / SCHEMBL2541499

SCHEMBL2541499

SCHEMBL2541499

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ SUCNR1 Q9BXA5 4/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ TPSAB1 Q15661 1/20 0.36
▸ TPSD1 Q9BZJ3 1/20 0.36
▸ TPSG1 Q9NRR2 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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 1.00 HDAC3 (0.38) HDAC3HDAC1HDAC6SUCNR1CYP3A4
SCHEMBL2535653 0.97 MAPT (0.38) HDAC3HDAC1HDAC6SUCNR1CYP3A4
SCHEMBL10551133 0.94 MAPT (0.39) SUCNR1LMNAGAAMAPTACKR3
SCHEMBL10551124 0.94 MAPT (0.39) SUCNR1LMNAGAAMAPTACKR3
SCHEMBL9526816 0.91 KMT2A (0.44) HDAC3HDAC1HDAC6SUCNR1CYP3A4
SCHEMBL9526809 0.91 KMT2A (0.44) HDAC3HDAC1HDAC6SUCNR1CYP3A4
SCHEMBL9142511 0.87 IDO1 (0.38) LMNAGAAMAPTACKR3SIGMAR1
Methane SCHEMBL9366272 0.85 MAPT (0.42) LMNAGAAMAPTNPSR1
SCHEMBL38664227 0.85 MAPT (0.41) LMNAGAAMAPTCA12CA1
SCHEMBL10542795 0.84 MAPT (0.43) LMNAGAAMAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7612037-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2009-11-03 — — US disclosed
US-7601690-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2009-10-13 — — US disclosed
US-20060025332-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2006-02-02 — — US disclosed
EP-1434779-B1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE INC (US) 2005-12-28 — — EP 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-6878686-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2005-04-12 — — US disclosed
US-20040033939-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2004-02-19 — — US disclosed
US-20030130173-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2003-07-10 — — US disclosed
EP-0249170-B1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-17 — — EP disclosed
US-4921851-A Cephem compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-05-01 — — US disclosed
EP-0249170-A2 Cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-12-16 — — 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 (5 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 HDAC3 3098/4885HDAC1 4029/4885HDAC6 2269/4885
US-20060025332-A1 Cross-linked glycopeptide-cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 HDAC3 3098/4885HDAC1 4029/4885HDAC6 2269/4885
US-20030130173-A1 Cross-linked glycopeptide-cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 HDAC3 3098/4885HDAC1 4029/4885HDAC6 2269/4885
US-20100197569-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS CSGALNACT1, GYPA, ST3GAL3 HDAC3 2998/4885HDAC1 3936/4885HDAC6 2238/4885
US-20050239691-A1 Cross-linked glycopeptide - cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 HDAC3 3098/4885HDAC1 4029/4885HDAC6 2269/4885

“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.