SCHEMBL20968628

SCHEMBL20968628

O=C(CCSSc1ccccc1)NCCNC(=O)NCCC(=O)OC1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 2/20 0.35
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL20091602 0.81 HSD17B10 (0.38) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL18510199 0.75 HPGD (0.43) HPGDALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL20968651 0.75 EPHX2 (0.32)
SCHEMBL14524708 0.73 HPGD (0.42) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL31348938 0.72 HPGD (0.43) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL15459726 0.69 HDAC3 (0.33) PRSS1CTSGCTRB1CMA1
SCHEMBL20968690 0.69 TGM2 (0.33) ALDH1A1TSHR
SCHEMBL14984805 0.68 ALDH1A1 (0.44) HPGDALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL18211081 0.67 CYP1A2 (0.45) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL20968627 0.67 OPRM1 (0.38) HPGDALDH1A1KMT2AMEN1RAB9A

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-10646585-B2 Hydrophilic linkers and ligand-drug conjugates thereof HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-05-12 US disclosed
US-20190125894-A1 NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-05-02 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-20190125894-A1 NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF CD44, HACD3, HACD2 HPGD 1722/4885ALDH1A1 1285/4885KMT2A 1850/4885
US-10646585-B2 Hydrophilic linkers and ligand-drug conjugates thereof CD44, SELPLG, EPCAM HPGD 1325/4885ALDH1A1 1069/4885KMT2A 1987/4885

“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.