SCHEMBL399472

SCHEMBL399472

C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NO

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.52
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
CA1 P00915 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
SLC1A2 P43004 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA2 P00918 2/20 0.49

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
SCHEMBL5445989 1.00 ADAM17 (0.52) ADAM17ALDH1A1KMT2ACA1HDAC1
SCHEMBL400813 0.94 ALDH1A1 (0.56) ADAM17ALDH1A1KMT2ACA1HDAC1
SCHEMBL401135 0.91 NPC1 (0.54) ALDH1A1CA1HDAC1CA2
SCHEMBL1109322 0.91 NPC1 (0.54) ALDH1A1CA1HDAC1CA2
SCHEMBL14195919 0.91 NPC1 (0.54) ALDH1A1CA1HDAC1CA2
SCHEMBL255200 0.91 NPC1 (0.54) ALDH1A1CA1HDAC1CA2
SCHEMBL403137 0.91 NPC1 (0.54) ALDH1A1CA1HDAC1CA2
SCHEMBL14195832 0.91 NPC1 (0.54) ALDH1A1CA1HDAC1CA2
SCHEMBL404429 0.90 NPC1 (0.58) ALDH1A1KMT2AHDAC1HDAC3HDAC7
SCHEMBL403058 0.89 CA2 (0.51) ADAM17CA1HDAC1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074507-B Compounds as Antibiotics 山东亨利医药科技有限责任公司 2023-09-05 CN disclosed
CN-110300578-B Compounds for the treatment of respiratory diseases in cattle or pigs 英特维特国际股份有限公司 2022-12-13 CN disclosed
US-11498909-B2 Compound acting as antibiotics KBP BIOSCIENCES CO., LTD. (CN) 2022-11-15 US disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS ADAM17 1862/4885ALDH1A1 782/4885KMT2A 4800/4885
US-11498909-B2 Compound acting as antibiotics PEPD, NRDC, DPP4 ADAM17 188/4885ALDH1A1 1492/4885KMT2A 3259/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ADAM17 1862/4885ALDH1A1 782/4885KMT2A 4800/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ADAM17 1862/4885ALDH1A1 782/4885KMT2A 4800/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ADAM17 1862/4885ALDH1A1 782/4885KMT2A 4800/4885

“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.