SCHEMBL5488818

SCHEMBL5488818

O=C(O)[C@H](CS)N(C(=O)c1ccccc1)N1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 2/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTRB1 P17538 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CPA3 P15088 1/20 0.34
FOLH1 Q04609 1/20 0.34
HTT P42858 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL10941926 0.75 CTRB1 (0.42) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6512684 0.75 CTRB1 (0.42) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2326683 0.72 MLYCD (0.44) ALDH1A1KMT2ARAB9ASMN1; SMN2CTRB1
SCHEMBL5498422 0.72 CTRB1 (0.41) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL28583425 0.70 CTRB1 (0.42) ALDH1A1PKMKMT2AMEN1CTRB1
SCHEMBL28583428 0.70 CTRB1 (0.42) ALDH1A1PKMKMT2AMEN1CTRB1
SCHEMBL2327943 0.69 KMT2A (0.46) ALDH1A1POLBKMT2AMEN1CTRB1
Hydrogen Sulfide SCHEMBL28330854 0.67 HPGD (0.42) ALDH1A1MAPTRAB9ASMN1; SMN2HTT
SCHEMBL2323986 0.65 CTNNB1 (0.43) RAB9ACTRB1CYP3A4CYP2D6CYP2C9
SCHEMBL27004095 0.64 CPA3 (0.44) CYP2D6CPA3FOLH1

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-6992169-B2 Carrier based drug delivery system CYCLACEL LIMITED (GB) 2006-01-31 US claimed
EP-1093383-B1 DRUG DELIVERY SYSTEM COMPRISING A HOMEOBOX PEPTIDE AND A CYTOTOXIC OR ANTINEOPLASTIC DRUG CYCLACEL LTD (GB) 2004-10-13 EP claimed
US-20030119735-A1 Drug moiety linked to a carrier moiety comprising a homeobox peptide or a fragment or derivative thereof. CYCLACEL LIMITED OF UNITED KINGDOM 2003-06-26 US claimed
US-6472507-B1 Carrier based drug delivery system CYCLACEL LIMITED (GB) 2002-10-29 US claimed
EP-1093383-A1 DRUG DELIVERY SYSTEM COMPRISING A HOMEOBOX PEPTIDE Cyclacel Limited (GB) 2001-04-25 EP claimed
WO-2000001417-A1 DELIVERY SYSTEM CYCLACEL LIMITED (GB) 2000-01-13 WO claimed
US-7259140-B2 Heparin-binding peptides and uses thereof THOMAS JEFFERSON UNIVERSITY (US) 2007-08-21 US disclosed
US-20060172931-A1 Heparin-binding peptides and uses thereof THOMAS JEFFERSON UNIVERSITY (US) 2006-08-03 US disclosed
US-6992169-B2 Carrier based drug delivery system CYCLACEL LIMITED (GB) 2006-01-31 US disclosed
WO-2005014619-A2 HEPARIN-BINDING PEPTIDES AND USES THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2005-02-17 WO disclosed
EP-1093383-B1 DRUG DELIVERY SYSTEM COMPRISING A HOMEOBOX PEPTIDE AND A CYTOTOXIC OR ANTINEOPLASTIC DRUG CYCLACEL LTD (GB) 2004-10-13 EP disclosed
US-20030119735-A1 Drug moiety linked to a carrier moiety comprising a homeobox peptide or a fragment or derivative thereof. CYCLACEL LIMITED OF UNITED KINGDOM 2003-06-26 US disclosed
US-6472507-B1 Carrier based drug delivery system CYCLACEL LIMITED (GB) 2002-10-29 US disclosed
EP-1093383-A1 DRUG DELIVERY SYSTEM COMPRISING A HOMEOBOX PEPTIDE Cyclacel Limited (GB) 2001-04-25 EP disclosed
WO-2000001417-A1 DELIVERY SYSTEM CYCLACEL LIMITED (GB) 2000-01-13 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 (2 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-20060172931-A1 Heparin-binding peptides and uses thereof HRH3, HRH4, SRRM2 ALDH1A1 4683/4885POLB 3713/4885PKM 4133/4885
US-20030119735-A1 Drug moiety linked to a carrier moiety comprising a homeobox peptide or a fragment or derivative thereof. CDYL, CDYL2, DAXX ALDH1A1 2423/4885POLB 3979/4885PKM 3404/4885

“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.