SCHEMBL13002248

SCHEMBL13002248

CCCC(=O)NC(CO)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CTSD P07339 1/20 0.46
DNM1 Q05193 1/20 0.46
CERT1 Q9Y5P4 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FAAH O00519 1/20 0.42
MAPK1 P28482 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
CNR2 P34972 4/20 0.40
CNR1 P21554 1/20 0.40
CASP2 P42575 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39

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
SCHEMBL24744385 0.91 PARP1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19142525 0.86 DNM1 (0.56) DNM1CERT1MEN1KMT2AFAAH
SCHEMBL21609362 0.86 PLA2G10 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29893217 0.85 DNM1 (0.65) DNM1CERT1MEN1KMT2AFAAH
SCHEMBL22183458 0.84 CNR2 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19520081 0.83 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL679967 0.83 DNM1 (0.68) DNM1CERT1MEN1KMT2AFAAH
SCHEMBL3243330 0.83 DNM1 (0.68) DNM1CERT1MEN1KMT2AFAAH
SCHEMBL23799220 0.83 DNM1 (0.68) DNM1CERT1MEN1KMT2AFAAH
SCHEMBL14159281 0.83 DNM1 (0.68) DNM1CERT1MEN1KMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277406-A1 BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2020-09-03 US disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-7846964-B2 Thiophene derivatives as spingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-07 US disclosed
US-7846964-B2 Thiophene derivatives as spingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-07 US disclosed
US-20080194670-A1 Novel Thiophene Derivatives as Spingosine-1-Phosphate-1 Receptor Agonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
US-20080194670-A1 Novel Thiophene Derivatives as Spingosine-1-Phosphate-1 Receptor Agonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 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-20080194670-A1 Novel Thiophene Derivatives as Spingosine-1-Phosphate-1 Receptor Agonists GRK2, GRK4, GPR174 HDAC3 3657/4885HDAC1 3365/4885HDAC2 4164/4885
US-20200277406-A1 BINDING AGENT SSB, APBA1, SHBG HDAC3 4431/4885HDAC1 2592/4885HDAC2 3823/4885

“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.