SCHEMBL3229254

SCHEMBL3229254

CC(C)(C)OC(=O)CCNCc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 12/20 0.51
CD274 Q9NZQ7 12/20 0.51
HDAC1 Q13547 2/20 0.48
MEN1 O00255 1/20 0.40
AHR P35869 1/20 0.40
KMT2A Q03164 1/20 0.40
SCD O00767 1/20 0.39
METAP1 P53582 1/20 0.37

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
SCHEMBL3229597 0.92 PDCD1 (0.50) PDCD1CD274HDAC1SCD
SCHEMBL3232105 0.90 PDCD1 (0.47) PDCD1CD274HDAC1MEN1AHR
SCHEMBL3234640 0.90 PDCD1 (0.64) PDCD1CD274HDAC1
SCHEMBL13569719 0.89 PDCD1 (0.48) PDCD1CD274HDAC1MEN1AHR
SCHEMBL3224966 0.88 PDCD1 (0.56) PDCD1CD274HDAC1SCD
SCHEMBL3221396 0.87 CD274 (0.50) PDCD1CD274HDAC1
SCHEMBL3226070 0.85 PDCD1 (0.48) PDCD1CD274HDAC1MEN1KMT2A
SCHEMBL2383083 0.85 PDCD1 (0.53) PDCD1CD274HDAC1
SCHEMBL3218083 0.84 PDCD1 (0.50) PDCD1CD274HDAC1SCD
SCHEMBL3224190 0.84 PDCD1 (0.52) PDCD1CD274HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012972-B2 Pyridinecarboxylic acid (2-aminophenyl) amide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-8012972-B2 Pyridinecarboxylic acid (2-aminophenyl) amide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US disclosed
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP disclosed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 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-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE HCAR1, CBR1, UACA PDCD1 1397/4885CD274 2587/4885HDAC1 1000/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 PDCD1 4109/4885CD274 4707/4885HDAC1 1/4885

“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.