SCHEMBL3869823

SCHEMBL3869823

CC(C)(C)OC(=O)Nc1cccc(C(=O)ON2C(=O)CC(O)C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
KAT6A Q92794 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP17A1 P05093 1/20 0.39
NPY1R P25929 1/20 0.39
BCL2 P10415 1/20 0.39
BECN1 Q14457 1/20 0.39
KMT2A Q03164 2/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38

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
SCHEMBL15789054 0.76 RAB9A (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5337975 0.73 CYP1A2 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29867230 0.73 CYP1A2 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24683938 0.73 EPHX2 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL222876 0.72 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29435026 0.72 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21855116 0.72 GAA (0.44) L3MBTL1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1543828 0.72 RAB9A (0.67) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29029431 0.71 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL607975 0.71 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538182-B2 Polypeptide and protein derivatives and process for their preparation AMYLIN PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-20070037967-A1 conjugated by bridging molecules to proteins or polypeptides, reporter groups or cytotoxic agents; cancer AMYLIN PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-7129327-B2 Polypeptide and protein derivatives and process for their preparation AMYLIN PHARMACEUTICALS, INC. (US) 2006-10-31 US disclosed
US-20040081660-A1 Polypeptide and protein derivatives and process for their preparation AMYLIN PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6673347-B1 CONJUGATED TO POLYMER VIA SCHIFF BASE, HYDRAZONE, OXIME, OR AZOMETHINE COMPOUND; DIAGNOSING TUMORS AND METASTASIS GRYPHON THERAPEUTICS 2004-01-06 US disclosed
EP-0243929-B1 Polypeptide and protein derivatives and process for their preparation OFFORD ROBIN EWART (CH) 1995-09-27 EP disclosed
EP-0243929-A2 Polypeptide and protein derivatives and process for their preparation Offord, Robin Ewart (CH) 1987-11-04 EP 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-20070037967-A1 conjugated by bridging molecules to proteins or polypeptides, reporter groups or cytotoxic agents; cancer HDGFL3, HCCS, HDGF HDAC3 2649/4885HDAC1 2522/4885HDAC2 4031/4885
US-20040081660-A1 Polypeptide and protein derivatives and process for their preparation INSRR, GIPR, HM13 HDAC3 1809/4885HDAC1 3010/4885HDAC2 3814/4885

“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.