SCHEMBL19713428

SCHEMBL19713428

O=C(CCSSc1ccccn1)NCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.O=C(CCSSc1ccccn1)NCCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
HDAC1 Q13547 5/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC4 P56524 3/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL29361373 0.97 HPGD (0.37) HPGDHDAC1HDAC2HDAC4HDAC6
SCHEMBL44111 0.97 HPGD (0.37) HPGDHDAC1HDAC2HDAC4HDAC6
SCHEMBL5051961 0.93 HDAC1 (0.33) HDAC1HDAC2HDAC4HDAC6
SCHEMBL12056750 0.92 HPGD (0.36) HPGDHDAC1HDAC2HDAC4HDAC6
SCHEMBL18306340 0.91 HPGD (0.36) HPGDHDAC1HDAC2HDAC4HDAC6
SCHEMBL29486520 0.90 HPGD (0.35) HPGDHDAC1HDAC2HDAC4HDAC6
SCHEMBL31005444 0.90 HPGD (0.42) HPGDHDAC1HDAC2HDAC4HDAC6
SCHEMBL43173 0.90 HPGD (0.42) HPGDHDAC1HDAC2HDAC4HDAC6
SCHEMBL29355223 0.90 HPGD (0.42) HPGDHDAC1HDAC2HDAC4HDAC6
SCHEMBL2283058 0.89 HPGD (0.46) HPGDLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590176-B2 Engineered programmable molecular scaffolds from porous protein crystals COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-03-17 US disclosed
US-20170362282-A1 ENGINEERED PROGRAMMABLE MOLECULAR SCAFFOLDS FROM POROUS PROTEIN CRYSTALS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2017-12-21 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 (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-20170362282-A1 ENGINEERED PROGRAMMABLE MOLECULAR SCAFFOLDS FROM POROUS PROTEIN CRYSTALS CRYAA, MAX, CRYAB HPGD 3307/4885HDAC1 4426/4885HDAC2 4626/4885
US-10590176-B2 Engineered programmable molecular scaffolds from porous protein crystals CRYAA, MAX, CRYAB HPGD 3307/4885HDAC1 4426/4885HDAC2 4626/4885

“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.