SCHEMBL21374155

SCHEMBL21374155

O=C(OCc1ccccc1)C(=O)c1cc(CSCc2ccccn2)cc(CSSc2ccccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.40
HDAC2 Q92769 13/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL20141792 0.77 POLB (0.57) HDAC1ALDH1A1CYP1A2TSHRPOLB
SCHEMBL30695197 0.77 POLB (0.57) HDAC1ALDH1A1CYP1A2TSHRPOLB
SCHEMBL21374156 0.76 ALDH1A1 (0.39) ALDH1A1CYP1A2TSHRMAPK1POLB
SCHEMBL20154265 0.71 KMT2A (0.45) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL23591218 0.69 KMT2A (0.58) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL537743 0.69 EHMT2 (0.59) HDAC1HDAC2ALDH1A1CYP1A2POLB
SCHEMBL23937565 0.68 KMT2A (0.60) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL31005447 0.67 POLB (0.74) HDAC1ALDH1A1CYP1A2POLBMEN1
SCHEMBL16938383 0.67 POLB (0.74) HDAC1ALDH1A1CYP1A2POLBMEN1
SCHEMBL2592282 0.67 CYP1A2 (0.54) ALDH1A1CYP1A2TSHRMAPK1CYP3A4

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-11351222-B2 Di-sulfide containing cell penetrating peptides and methods of making and using thereof OHIO STATE INNOVATION FOUNDATION (US) 2022-06-07 US disclosed
US-20190282654-A1 DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION 2019-09-19 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-20190282654-A1 DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF IKBKE, IKBKB, SHARPIN HDAC1 3276/4885HDAC2 3776/4885ALDH1A1 4859/4885
US-11351222-B2 Di-sulfide containing cell penetrating peptides and methods of making and using thereof IKBKE, IKBKB, SHARPIN HDAC1 3276/4885HDAC2 3776/4885ALDH1A1 4859/4885

“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.