SCHEMBL5498422

SCHEMBL5498422

CNN(C(=O)c1ccccc1)[C@@H](CS)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.41
TSHR P16473 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 3/20 0.37
APAF1 O14727 1/20 0.37
CPA3 P15088 1/20 0.37
FOLH1 Q04609 1/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
CES1 P23141 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6065012 0.82 LMNA (0.41) TSHRHDAC1HDAC6ALDH1A1LMNA
SCHEMBL11185212 0.82 LMNA (0.41) TSHRHDAC1HDAC6ALDH1A1LMNA
SCHEMBL28287517 0.81 LMNA (0.40) TSHRHDAC1HDAC6ALDH1A1LMNA
SCHEMBL28286182 0.81 LMNA (0.40) TSHRHDAC1HDAC6ALDH1A1LMNA
SCHEMBL28286136 0.81 NR4A2 (0.41) TSHRHDAC1HDAC6ALDH1A1HPGD
SCHEMBL6512684 0.78 CTRB1 (0.42) CTRB1TSHRALDH1A1HPGDKMT2A
SCHEMBL10941926 0.78 CTRB1 (0.42) CTRB1TSHRALDH1A1HPGDKMT2A
SCHEMBL28583428 0.76 CTRB1 (0.42) CTRB1HDAC1HDAC6ALDH1A1HPGD
SCHEMBL28583425 0.76 CTRB1 (0.42) CTRB1HDAC1HDAC6ALDH1A1HPGD
SCHEMBL2326683 0.76 MLYCD (0.44) CTRB1TSHRALDH1A1HPGDLMNA

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 CTRB1 32/4885TSHR 744/4885HDAC1 1801/4885
US-20030119735-A1 Drug moiety linked to a carrier moiety comprising a homeobox peptide or a fragment or derivative thereof. CDYL, CDYL2, DAXX CTRB1 1907/4885TSHR 1010/4885HDAC1 1195/4885

“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.